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

C15H24N6 — CID 131643104

IUPACN,N-dimethyl-1-[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine
SMILESCN(C)CC1CN(Cc2cnn(C)c2)Cc2nccn2C1
InChIInChI=1S/C15H24N6/c1-18(2)7-14-10-20(9-13-6-17-19(3)8-13)12-15-16-4-5-21(15)11-14/h4-6,8,14H,7,9-12H2,1-3H3
InChIKeyBSMYYCZMIIYUFQ-UHFFFAOYSA-N
MW288.40 g/mol
LogP0.81
Rot. Bonds4

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

N,N-dimethyl-1-[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine (PubChem CID 131643104) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine
PubChem CID131643104
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC NameN,N-dimethyl-1-[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine
SMILESCN(C)CC1CN(Cc2cnn(C)c2)Cc2nccn2C1
InChIInChI=1S/C15H24N6/c1-18(2)7-14-10-20(9-13-6-17-19(3)8-13)12-15-16-4-5-21(15)11-14/h4-6,8,14H,7,9-12H2,1-3H3
InChIKeyBSMYYCZMIIYUFQ-UHFFFAOYSA-N
XLogP0.81
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[(1-Methylimidazol-2-yl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 53553093
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
2-[[2-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole
CID 56780542
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-Ethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl)-2-pyrazol-1-ylethanone
CID 132335079

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine (CID 131643104) is N,N-dimethyl-1-[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine is CN(C)CC1CN(Cc2cnn(C)c2)Cc2nccn2C1.
What is the InChIKey of N,N-dimethyl-1-[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine?
The InChIKey is BSMYYCZMIIYUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-18(2)7-14-10-20(9-13-6-17-19(3)8-13)12-15-16-4-5-21(15)11-14/h4-6,8,14H,7,9-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine?
N,N-dimethyl-1-[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine has a molecular weight of 288.40 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine is sourced from PubChem (CID 131643104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).