1-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]urea

C19H29N7O — CID 72935982

IUPAC1-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]urea
SMILESCN(Cc1ccccc1NC(=O)NCCc1nc(N)n[nH]1)C1CCCCC1
InChIInChI=1S/C19H29N7O/c1-26(15-8-3-2-4-9-15)13-14-7-5-6-10-16(14)22-19(27)21-12-11-17-23-18(20)25-24-17/h5-7,10,15H,2-4,8-9,11-13H2,1H3,(H2,21,22,27)(H3,20,23,24,25)
InChIKeyJDNSCFUWFZTOPE-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.52
Rot. Bonds7

About 1-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]urea

1-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]urea (PubChem CID 72935982) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]urea.

Molecular Properties

Compound Name1-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]urea
PubChem CID72935982
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name1-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]urea
SMILESCN(Cc1ccccc1NC(=O)NCCc1nc(N)n[nH]1)C1CCCCC1
InChIInChI=1S/C19H29N7O/c1-26(15-8-3-2-4-9-15)13-14-7-5-6-10-16(14)22-19(27)21-12-11-17-23-18(20)25-24-17/h5-7,10,15H,2-4,8-9,11-13H2,1H3,(H2,21,22,27)(H3,20,23,24,25)
InChIKeyJDNSCFUWFZTOPE-UHFFFAOYSA-N
XLogP2.52
TPSA111.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]urea with MolForge

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Related Compounds

1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea
CID 111336789
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112822635
cis-(1S,2R)-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 166254818
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 71943341
1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[(2S)-2-imidazol-1-ylpropyl]urea
CID 97276245
1-(2-ethylphenyl)-3-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]urea
CID 50801462
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methoxyphenyl)acetamide
CID 51307622
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432249
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide
CID 18158678
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide
CID 46554715
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-phenoxypropanamide
CID 42940630
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-phenylsulfanylpropanamide
CID 55527708

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]urea?
The IUPAC name of 1-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]urea (CID 72935982) is 1-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]urea.
What is the SMILES notation for 1-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]urea?
The canonical SMILES for 1-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]urea is CN(Cc1ccccc1NC(=O)NCCc1nc(N)n[nH]1)C1CCCCC1.
What is the InChIKey of 1-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]urea?
The InChIKey is JDNSCFUWFZTOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-26(15-8-3-2-4-9-15)13-14-7-5-6-10-16(14)22-19(27)21-12-11-17-23-18(20)25-24-17/h5-7,10,15H,2-4,8-9,11-13H2,1H3,(H2,21,22,27)(H3,20,23,24,25).
What are the key properties of 1-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]urea?
1-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]urea has a molecular weight of 371.49 g/mol, XLogP of 2.52, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]urea is sourced from PubChem (CID 72935982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).