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

C14H23N7 — CID 97467150

IUPACN,N-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanamine
SMILESCN(C)CCN1CCc2ncc(Cn3cncn3)n2CC1
InChIInChI=1S/C14H23N7/c1-18(2)5-6-19-4-3-14-16-9-13(21(14)8-7-19)10-20-12-15-11-17-20/h9,11-12H,3-8,10H2,1-2H3
InChIKeyKASXMUQAFAFGGB-UHFFFAOYSA-N
MW289.39 g/mol
LogP-0.06
Rot. Bonds5

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]ethanamine

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 (PubChem CID 97467150) has the molecular formula C14H23N7 and a molecular weight of 289.39 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]ethanamine.

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]ethanamine
PubChem CID97467150
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
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]ethanamine
SMILESCN(C)CCN1CCc2ncc(Cn3cncn3)n2CC1
InChIInChI=1S/C14H23N7/c1-18(2)5-6-19-4-3-14-16-9-13(21(14)8-7-19)10-20-12-15-11-17-20/h9,11-12H,3-8,10H2,1-2H3
InChIKeyKASXMUQAFAFGGB-UHFFFAOYSA-N
XLogP-0.06
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]ethanamine?
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]ethanamine (CID 97467150) 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]ethanamine.
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]ethanamine?
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]ethanamine is CN(C)CCN1CCc2ncc(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]ethanamine?
The InChIKey is KASXMUQAFAFGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-18(2)5-6-19-4-3-14-16-9-13(21(14)8-7-19)10-20-12-15-11-17-20/h9,11-12H,3-8,10H2,1-2H3.
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]ethanamine?
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 has a molecular weight of 289.39 g/mol, XLogP of -0.06, 5 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]ethanamine is sourced from PubChem (CID 97467150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).