[1-[5-(4-chloro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine

C15H20ClN5 — CID 102799868

IUPAC[1-[5-(4-chloro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCc1cc(-c2nc(N3CCCC(CN)C3)n[nH]2)ccc1Cl
InChIInChI=1S/C15H20ClN5/c1-10-7-12(4-5-13(10)16)14-18-15(20-19-14)21-6-2-3-11(8-17)9-21/h4-5,7,11H,2-3,6,8-9,17H2,1H3,(H,18,19,20)
InChIKeyRGHGWMOKUMAMNF-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.61
Rot. Bonds3

About [1-[5-(4-chloro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine

[1-[5-(4-chloro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (PubChem CID 102799868) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is [1-[5-(4-chloro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[5-(4-chloro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
PubChem CID102799868
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name[1-[5-(4-chloro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCc1cc(-c2nc(N3CCCC(CN)C3)n[nH]2)ccc1Cl
InChIInChI=1S/C15H20ClN5/c1-10-7-12(4-5-13(10)16)14-18-15(20-19-14)21-6-2-3-11(8-17)9-21/h4-5,7,11H,2-3,6,8-9,17H2,1H3,(H,18,19,20)
InChIKeyRGHGWMOKUMAMNF-UHFFFAOYSA-N
XLogP2.61
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102800011
[1-[5-(2,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102800021
[1-[5-(5-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799821
[1-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799989
[1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799956
[1-[5-(5-iodothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102800001
[1-[5-(2-methylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799886
1-[5-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794368
[1-[5-(3-fluoro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800613
[1-[5-(3-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799797
[1-[5-(3-bromo-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 107517334
3-[3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]-1H-pyridin-4-one
CID 136812266

Frequently Asked Questions

What is the IUPAC name of [1-[5-(4-chloro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[5-(4-chloro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (CID 102799868) is [1-[5-(4-chloro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[5-(4-chloro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[5-(4-chloro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is Cc1cc(-c2nc(N3CCCC(CN)C3)n[nH]2)ccc1Cl.
What is the InChIKey of [1-[5-(4-chloro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The InChIKey is RGHGWMOKUMAMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-10-7-12(4-5-13(10)16)14-18-15(20-19-14)21-6-2-3-11(8-17)9-21/h4-5,7,11H,2-3,6,8-9,17H2,1H3,(H,18,19,20).
What are the key properties of [1-[5-(4-chloro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
[1-[5-(4-chloro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine has a molecular weight of 305.81 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(4-chloro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is sourced from PubChem (CID 102799868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).