N-ethyl-N-[[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine

C17H28N6 — CID 131657028

IUPACN-ethyl-N-[[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine
SMILESCCN(CC)CC1CN(Cc2cnn(C)c2)Cc2nccn2C1
InChIInChI=1S/C17H28N6/c1-4-21(5-2)11-16-12-22(10-15-8-19-20(3)9-15)14-17-18-6-7-23(17)13-16/h6-9,16H,4-5,10-14H2,1-3H3
InChIKeyHPNUCABUQULSCO-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.59
Rot. Bonds6

About N-ethyl-N-[[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine

N-ethyl-N-[[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine (PubChem CID 131657028) has the molecular formula C17H28N6 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-ethyl-N-[[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine
PubChem CID131657028
Molecular FormulaC17H28N6
Molecular Weight316.45 g/mol
Exact Mass316.24
IUPAC NameN-ethyl-N-[[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine
SMILESCCN(CC)CC1CN(Cc2cnn(C)c2)Cc2nccn2C1
InChIInChI=1S/C17H28N6/c1-4-21(5-2)11-16-12-22(10-15-8-19-20(3)9-15)14-17-18-6-7-23(17)13-16/h6-9,16H,4-5,10-14H2,1-3H3
InChIKeyHPNUCABUQULSCO-UHFFFAOYSA-N
XLogP1.59
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-ethyl-N-[[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine with MolForge

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Related Compounds

1-[(1-Methylimidazol-2-yl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 53553093
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 53602016
2-(4-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]ethanamine
CID 53614784
1-Methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole
CID 53627291
1-Ethyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole
CID 56780535
3-(Pyrazol-1-ylmethyl)-8-pyrimidin-2-yl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine
CID 97405603
8-(5-Methylpyrimidin-2-yl)-3-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine
CID 97519756
8-Propylsulfonyl-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118739162
6-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-8-(5-methylpyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118739232
6-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118739688
8-Ethylsulfonyl-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118740748
1-[9-(Propan-2-YL)-5H,6H,7H,8H,9H-imidazo[1,2-A][1,4]diazepin-8-YL]-3-(1H-pyrazol-1-YL)propan-1-one
CID 124049513

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine (CID 131657028) is N-ethyl-N-[[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine is CCN(CC)CC1CN(Cc2cnn(C)c2)Cc2nccn2C1.
What is the InChIKey of N-ethyl-N-[[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine?
The InChIKey is HPNUCABUQULSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6/c1-4-21(5-2)11-16-12-22(10-15-8-19-20(3)9-15)14-17-18-6-7-23(17)13-16/h6-9,16H,4-5,10-14H2,1-3H3.
What are the key properties of N-ethyl-N-[[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine?
N-ethyl-N-[[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine has a molecular weight of 316.45 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine is sourced from PubChem (CID 131657028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).