4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

C14H20N6 — CID 106752830

IUPAC4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCc1cc(-c2nc(N3CCC(C)C(N)C3)n[nH]2)ccn1
InChIInChI=1S/C14H20N6/c1-9-4-6-20(8-12(9)15)14-17-13(18-19-14)11-3-5-16-10(2)7-11/h3,5,7,9,12H,4,6,8,15H2,1-2H3,(H,17,18,19)
InChIKeyNMZUKUBPSKHNHM-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.35
Rot. Bonds2

About 4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (PubChem CID 106752830) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
PubChem CID106752830
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCc1cc(-c2nc(N3CCC(C)C(N)C3)n[nH]2)ccn1
InChIInChI=1S/C14H20N6/c1-9-4-6-20(8-12(9)15)14-17-13(18-19-14)11-3-5-16-10(2)7-11/h3,5,7,9,12H,4,6,8,15H2,1-2H3,(H,17,18,19)
InChIKeyNMZUKUBPSKHNHM-UHFFFAOYSA-N
XLogP1.35
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine with MolForge

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Related Compounds

1-[5-(3-bromo-4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 107998481
4-methyl-1-[5-(1-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 107971931
4-methyl-1-[5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102799092
1-[5-(2-bromofuran-3-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 106851444
1-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 102798836
4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-3-fluorophenol
CID 136751524
1-[5-(4-bromo-2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 102798910
1-[5-(4-bromo-2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 102798868
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798903
1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798984
4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102798846
1-[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793037

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The IUPAC name of 4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (CID 106752830) is 4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The canonical SMILES for 4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is Cc1cc(-c2nc(N3CCC(C)C(N)C3)n[nH]2)ccn1.
What is the InChIKey of 4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The InChIKey is NMZUKUBPSKHNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-9-4-6-20(8-12(9)15)14-17-13(18-19-14)11-3-5-16-10(2)7-11/h3,5,7,9,12H,4,6,8,15H2,1-2H3,(H,17,18,19).
What are the key properties of 4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine has a molecular weight of 272.36 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 106752830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).