[1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine

C14H17ClN4O — CID 82196348

IUPAC[1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
SMILESCc1ccc(Cl)cc1-n1nnc(CN)c1C1CCCO1
InChIInChI=1S/C14H17ClN4O/c1-9-4-5-10(15)7-12(9)19-14(11(8-16)17-18-19)13-3-2-6-20-13/h4-5,7,13H,2-3,6,8,16H2,1H3
InChIKeyZWHCKOSOEPAPGY-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.54
Rot. Bonds3

About [1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine

[1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine (PubChem CID 82196348) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is [1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
PubChem CID82196348
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name[1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
SMILESCc1ccc(Cl)cc1-n1nnc(CN)c1C1CCCO1
InChIInChI=1S/C14H17ClN4O/c1-9-4-5-10(15)7-12(9)19-14(11(8-16)17-18-19)13-3-2-6-20-13/h4-5,7,13H,2-3,6,8,16H2,1H3
InChIKeyZWHCKOSOEPAPGY-UHFFFAOYSA-N
XLogP2.54
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82199059
[1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanamine
CID 82195258
4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline
CID 82199693
[1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82197241
[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82221381
[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82196353
[1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82200344
2-[4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]phenyl]acetic acid
CID 82195563
1-(5-chloro-2-methylphenyl)-5-cyclobutyltriazole-4-carbaldehyde
CID 82196337
[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]methanamine
CID 82195240
[1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82205498
1-(4-chlorophenyl)-5-(oxolan-2-yl)triazole-4-carbonitrile
CID 82200758

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine?
The IUPAC name of [1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine (CID 82196348) is [1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine is Cc1ccc(Cl)cc1-n1nnc(CN)c1C1CCCO1.
What is the InChIKey of [1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine?
The InChIKey is ZWHCKOSOEPAPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-9-4-5-10(15)7-12(9)19-14(11(8-16)17-18-19)13-3-2-6-20-13/h4-5,7,13H,2-3,6,8,16H2,1H3.
What are the key properties of [1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine?
[1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine has a molecular weight of 292.77 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 82196348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).