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

C14H19ClN6 — CID 102800974

IUPAC[1-[5-(3-chloro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2n[nH]c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C14H19ClN6/c1-14(9-16)3-6-21(7-4-14)13-18-12(19-20-13)10-2-5-17-8-11(10)15/h2,5,8H,3-4,6-7,9,16H2,1H3,(H,18,19,20)
InChIKeyOBQLIMKCZUIXFU-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.09
Rot. Bonds3

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

[1-[5-(3-chloro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine (PubChem CID 102800974) has the molecular formula C14H19ClN6 and a molecular weight of 306.80 g/mol. Its IUPAC name is [1-[5-(3-chloro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[5-(3-chloro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine
PubChem CID102800974
Molecular FormulaC14H19ClN6
Molecular Weight306.80 g/mol
Exact Mass306.14
IUPAC Name[1-[5-(3-chloro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2n[nH]c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C14H19ClN6/c1-14(9-16)3-6-21(7-4-14)13-18-12(19-20-13)10-2-5-17-8-11(10)15/h2,5,8H,3-4,6-7,9,16H2,1H3,(H,18,19,20)
InChIKeyOBQLIMKCZUIXFU-UHFFFAOYSA-N
XLogP2.09
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[5-(3-chloro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine with MolForge

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Related Compounds

[4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800830
[4-methyl-1-[5-(1,3-thiazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800824
[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
[1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine
CID 136836621
[1-[5-(5-bromo-4-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine
CID 102800873
[1-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine
CID 102799405
[1-[5-(5-chloro-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine
CID 102799577
1-[1-[3-(3-chloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]-N-methylmethanamine
CID 166992676
[1-(3-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine
CID 107160290
[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
CID 102800850
[4-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800983

Frequently Asked Questions

What is the IUPAC name of [1-[5-(3-chloro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine?
The IUPAC name of [1-[5-(3-chloro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine (CID 102800974) is [1-[5-(3-chloro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-[5-(3-chloro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-[5-(3-chloro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine is CC1(CN)CCN(c2n[nH]c(-c3ccncc3Cl)n2)CC1.
What is the InChIKey of [1-[5-(3-chloro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine?
The InChIKey is OBQLIMKCZUIXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6/c1-14(9-16)3-6-21(7-4-14)13-18-12(19-20-13)10-2-5-17-8-11(10)15/h2,5,8H,3-4,6-7,9,16H2,1H3,(H,18,19,20).
What are the key properties of [1-[5-(3-chloro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine?
[1-[5-(3-chloro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine has a molecular weight of 306.80 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(3-chloro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 102800974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).