[1-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine

C15H20ClN5 — CID 102799405

IUPAC[1-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine
SMILESCC1(CN)CCCN(c2n[nH]c(-c3ccc(Cl)cc3)n2)C1
InChIInChI=1S/C15H20ClN5/c1-15(9-17)7-2-8-21(10-15)14-18-13(19-20-14)11-3-5-12(16)6-4-11/h3-6H,2,7-10,17H2,1H3,(H,18,19,20)
InChIKeyYFNHHKJGTIJZJQ-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.69
Rot. Bonds3

About [1-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine

[1-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine (PubChem CID 102799405) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is [1-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine
PubChem CID102799405
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name[1-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine
SMILESCC1(CN)CCCN(c2n[nH]c(-c3ccc(Cl)cc3)n2)C1
InChIInChI=1S/C15H20ClN5/c1-15(9-17)7-2-8-21(10-15)14-18-13(19-20-14)11-3-5-12(16)6-4-11/h3-6H,2,7-10,17H2,1H3,(H,18,19,20)
InChIKeyYFNHHKJGTIJZJQ-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[5-(5-chloro-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine
CID 102799577
[1-[5-(2-chlorofuran-3-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine
CID 106683947
[1-[5-(3-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine
CID 102799525
[3-methyl-1-[5-(5-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799440
[3-methyl-1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799486
[3-methyl-1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799542
[3-methyl-1-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799408
[3-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799576
[3-methyl-1-[5-(5-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799449
[3-methyl-1-[5-(5-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799581
[1-[5-(3-chloro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine
CID 102800974
[4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800830

Frequently Asked Questions

What is the IUPAC name of [1-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine (CID 102799405) is [1-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine is CC1(CN)CCCN(c2n[nH]c(-c3ccc(Cl)cc3)n2)C1.
What is the InChIKey of [1-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine?
The InChIKey is YFNHHKJGTIJZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-15(9-17)7-2-8-21(10-15)14-18-13(19-20-14)11-3-5-12(16)6-4-11/h3-6H,2,7-10,17H2,1H3,(H,18,19,20).
What are the key properties of [1-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine?
[1-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine has a molecular weight of 305.81 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 102799405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).