N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide

C19H27N5O — CID 18165130

IUPACN-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide
SMILESCN(C)C1(CNC(=O)c2cnn(-c3ccccc3)n2)CCCCCC1
InChIInChI=1S/C19H27N5O/c1-23(2)19(12-8-3-4-9-13-19)15-20-18(25)17-14-21-24(22-17)16-10-6-5-7-11-16/h5-7,10-11,14H,3-4,8-9,12-13,15H2,1-2H3,(H,20,25)
InChIKeyYUPAYWOMMKQYEJ-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.65
Rot. Bonds5

About N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide

N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide (PubChem CID 18165130) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide
PubChem CID18165130
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide
SMILESCN(C)C1(CNC(=O)c2cnn(-c3ccccc3)n2)CCCCCC1
InChIInChI=1S/C19H27N5O/c1-23(2)19(12-8-3-4-9-13-19)15-20-18(25)17-14-21-24(22-17)16-10-6-5-7-11-16/h5-7,10-11,14H,3-4,8-9,12-13,15H2,1-2H3,(H,20,25)
InChIKeyYUPAYWOMMKQYEJ-UHFFFAOYSA-N
XLogP2.65
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-[[(2-phenyltriazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544026
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 120887619
N-[[1-(dimethylamino)cyclohexyl]methyl]pyridine-2-carboxamide
CID 4787654
1-[methyl-(2-phenyltriazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539616
2-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxamide
CID 111485653
N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2-carboxamide
CID 47108596
N-(3-aminobutyl)-2-phenyltriazole-4-carboxamide
CID 63253686
N,N-dimethyl-2-phenyltriazole-4-carboxamide
CID 22103711
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 16559258
N-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 52510515
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-phenyltriazole-4-carboxamide
CID 75440130
5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2-carboxamide
CID 83107440

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide (CID 18165130) is N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide is CN(C)C1(CNC(=O)c2cnn(-c3ccccc3)n2)CCCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide?
The InChIKey is YUPAYWOMMKQYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-23(2)19(12-8-3-4-9-13-19)15-20-18(25)17-14-21-24(22-17)16-10-6-5-7-11-16/h5-7,10-11,14H,3-4,8-9,12-13,15H2,1-2H3,(H,20,25).
What are the key properties of N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide?
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 18165130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).