N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride

C15H24ClN7O2 — CID 155941106

IUPACN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride
SMILESCOCCn1cnnc1CCNC(=O)c1cn2c(n1)CCNCC2.Cl
InChIInChI=1S/C15H23N7O2.ClH/c1-24-9-8-22-11-18-20-14(22)3-5-17-15(23)12-10-21-7-6-16-4-2-13(21)19-12;/h10-11,16H,2-9H2,1H3,(H,17,23);1H
InChIKeyIPRPWTSVLKOIOF-UHFFFAOYSA-N
MW369.86 g/mol
LogP-0.34
Rot. Bonds7

About N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride

N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride (PubChem CID 155941106) has the molecular formula C15H24ClN7O2 and a molecular weight of 369.86 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride
PubChem CID155941106
Molecular FormulaC15H24ClN7O2
Molecular Weight369.86 g/mol
Exact Mass369.17
IUPAC NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride
SMILESCOCCn1cnnc1CCNC(=O)c1cn2c(n1)CCNCC2.Cl
InChIInChI=1S/C15H23N7O2.ClH/c1-24-9-8-22-11-18-20-14(22)3-5-17-15(23)12-10-21-7-6-16-4-2-13(21)19-12;/h10-11,16H,2-9H2,1H3,(H,17,23);1H
InChIKeyIPRPWTSVLKOIOF-UHFFFAOYSA-N
XLogP-0.34
TPSA98.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone
CID 71872925
2-Methoxy-1-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone
CID 97390227
[3-[(dimethylamino)methyl]-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]-(1H-imidazol-5-yl)methanone
CID 97405572
1H-imidazol-5-yl-[3-(piperidin-1-ylmethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]methanone
CID 97519775
[6-(Methoxymethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 118739433
1-(cis-4-aminocyclohexyl)-N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}-1H-1,2,3-triazole-4-carboxamide
CID 70738966
1-(2-aminoethyl)-N-[3-(2-methyl-1H-imidazol-1-yl)propyl]-1H-1,2,3-triazole-4-carboxamide
CID 70739044
1-(2-aminoethyl)-N-[(1-propyl-1H-imidazol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 70744818
N-{2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}pyrazine-2-carboxamide
CID 91769711
1-methyl-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide
CID 125157749
N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 97415883
N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-methylimidazole-2-carboxamide
CID 97416029

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride (CID 155941106) is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride is COCCn1cnnc1CCNC(=O)c1cn2c(n1)CCNCC2.Cl.
What is the InChIKey of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride?
The InChIKey is IPRPWTSVLKOIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O2.ClH/c1-24-9-8-22-11-18-20-14(22)3-5-17-15(23)12-10-21-7-6-16-4-2-13(21)19-12;/h10-11,16H,2-9H2,1H3,(H,17,23);1H.
What are the key properties of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride?
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride has a molecular weight of 369.86 g/mol, XLogP of -0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride is sourced from PubChem (CID 155941106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).