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

C14H18F3N7O — CID 155495271

IUPACN-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
SMILESCNC(=O)Cc1nc(-c2cn3c(n2)CCNCC3)n(CC(F)(F)F)n1
InChIInChI=1S/C14H18F3N7O/c1-18-12(25)6-10-21-13(24(22-10)8-14(15,16)17)9-7-23-5-4-19-3-2-11(23)20-9/h7,19H,2-6,8H2,1H3,(H,18,25)
InChIKeyVAXOGZKDEOJJMM-UHFFFAOYSA-N
MW357.34 g/mol
LogP0.14
Rot. Bonds4

About 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

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 (PubChem CID 155495271) has the molecular formula C14H18F3N7O and a molecular weight of 357.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID155495271
Molecular FormulaC14H18F3N7O
Molecular Weight357.34 g/mol
Exact Mass357.15
IUPAC NameN-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
SMILESCNC(=O)Cc1nc(-c2cn3c(n2)CCNCC3)n(CC(F)(F)F)n1
InChIInChI=1S/C14H18F3N7O/c1-18-12(25)6-10-21-13(24(22-10)8-14(15,16)17)9-7-23-5-4-19-3-2-11(23)20-9/h7,19H,2-6,8H2,1H3,(H,18,25)
InChIKeyVAXOGZKDEOJJMM-UHFFFAOYSA-N
XLogP0.14
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 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-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?
The IUPAC name of 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 (CID 155495271) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)Cc1nc(-c2cn3c(n2)CCNCC3)n(CC(F)(F)F)n1.
What is the InChIKey of 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?
The InChIKey is VAXOGZKDEOJJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N7O/c1-18-12(25)6-10-21-13(24(22-10)8-14(15,16)17)9-7-23-5-4-19-3-2-11(23)20-9/h7,19H,2-6,8H2,1H3,(H,18,25).
What are the key properties of 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?
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 has a molecular weight of 357.34 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155495271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).