N,N-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]acetamide

C14H21N7O — CID 97390226

IUPACN,N-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]acetamide
SMILESCN(C)C(=O)CN1CCc2ncc(Cn3cncn3)n2CC1
InChIInChI=1S/C14H21N7O/c1-18(2)14(22)9-19-4-3-13-16-7-12(21(13)6-5-19)8-20-11-15-10-17-20/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyNABCUXCQRXEEKA-UHFFFAOYSA-N
MW303.37 g/mol
LogP-0.53
Rot. Bonds4

About N,N-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]acetamide

N,N-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]acetamide (PubChem CID 97390226) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]acetamide
PubChem CID97390226
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC NameN,N-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]acetamide
SMILESCN(C)C(=O)CN1CCc2ncc(Cn3cncn3)n2CC1
InChIInChI=1S/C14H21N7O/c1-18(2)14(22)9-19-4-3-13-16-7-12(21(13)6-5-19)8-20-11-15-10-17-20/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyNABCUXCQRXEEKA-UHFFFAOYSA-N
XLogP-0.53
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-Cyclopropyl-1-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone
CID 97467153
N,N,8-trimethyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 118739363
1-(9-Ethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl)-2-pyrazol-1-ylethanone
CID 132335079
(1-Fluorocyclopropyl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 131682957
N-methyl-2-[5-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]acetamide dihydrochloride
CID 155495271
N-methyl-2-[5-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide;dihydrochloride
CID 155941177
N,N-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide
CID 97390308
N,N-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanamine
CID 97467150
N-[2-oxo-2-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethyl]acetamide
CID 97467154
1-methyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)imidazole-2-carboxamide
CID 97467227
1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]imidazole-2-carboxamide
CID 97467228

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]acetamide (CID 97390226) is N,N-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]acetamide is CN(C)C(=O)CN1CCc2ncc(Cn3cncn3)n2CC1.
What is the InChIKey of N,N-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]acetamide?
The InChIKey is NABCUXCQRXEEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-18(2)14(22)9-19-4-3-13-16-7-12(21(13)6-5-19)8-20-11-15-10-17-20/h7,10-11H,3-6,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]acetamide?
N,N-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]acetamide has a molecular weight of 303.37 g/mol, XLogP of -0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]acetamide is sourced from PubChem (CID 97390226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).