N-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide

C24H29N5O — CID 86934070

IUPACN-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NCC(C)N(C)Cc3ccccc3)c2C2CC2)cc1
InChIInChI=1S/C24H29N5O/c1-17-9-13-21(14-10-17)29-23(20-11-12-20)22(26-27-29)24(30)25-15-18(2)28(3)16-19-7-5-4-6-8-19/h4-10,13-14,18,20H,11-12,15-16H2,1-3H3,(H,25,30)
InChIKeyDRRGKRFWQRTXPV-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.70
Rot. Bonds8

About N-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide

N-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 86934070) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID86934070
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NCC(C)N(C)Cc3ccccc3)c2C2CC2)cc1
InChIInChI=1S/C24H29N5O/c1-17-9-13-21(14-10-17)29-23(20-11-12-20)22(26-27-29)24(30)25-15-18(2)28(3)16-19-7-5-4-6-8-19/h4-10,13-14,18,20H,11-12,15-16H2,1-3H3,(H,25,30)
InChIKeyDRRGKRFWQRTXPV-UHFFFAOYSA-N
XLogP3.70
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide
CID 86874503
methyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate
CID 86965087
N-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86972051
5-cyclopropyl-N-[4-(dipropylcarbamoyl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 86874499
2-[(5-cyclopropyl-1-phenyltriazol-4-yl)methyl-methylamino]propanoic acid
CID 167944477
5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide
CID 172994889
N-[(4-bromo-3-fluorophenyl)methyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86874598
3-[[1-(4-bromophenyl)-5-cyclopropyltriazole-4-carbonyl]amino]butanoic acid
CID 119221057
[5-cyclopropyl-1-(4-methylphenyl)triazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 86874602
5-cyclopropyl-1-(4-propylphenyl)triazole-4-carboxylic acid
CID 43325185
(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide
CID 120636391
5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide
CID 86887909

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide (CID 86934070) is N-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide is Cc1ccc(-n2nnc(C(=O)NCC(C)N(C)Cc3ccccc3)c2C2CC2)cc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is DRRGKRFWQRTXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-17-9-13-21(14-10-17)29-23(20-11-12-20)22(26-27-29)24(30)25-15-18(2)28(3)16-19-7-5-4-6-8-19/h4-10,13-14,18,20H,11-12,15-16H2,1-3H3,(H,25,30).
What are the key properties of N-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide?
N-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 86934070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).