5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine

C8H15N5 — CID 114426843

IUPAC5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine
SMILESCC1CCNC(c2nc(N)n[nH]2)C1
InChIInChI=1S/C8H15N5/c1-5-2-3-10-6(4-5)7-11-8(9)13-12-7/h5-6,10H,2-4H2,1H3,(H3,9,11,12,13)
InChIKeyARJHNJKXYZXUSU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.45
Rot. Bonds1

About 5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine

5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 114426843) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine
PubChem CID114426843
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine
SMILESCC1CCNC(c2nc(N)n[nH]2)C1
InChIInChI=1S/C8H15N5/c1-5-2-3-10-6(4-5)7-11-8(9)13-12-7/h5-6,10H,2-4H2,1H3,(H3,9,11,12,13)
InChIKeyARJHNJKXYZXUSU-UHFFFAOYSA-N
XLogP0.45
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

ethyl 5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazole-3-carboxylate
CID 114426865
5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine
CID 127004880
(5S)-5-(3-amino-1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
CID 104911614
5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine
CID 22361901
5-(3-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine
CID 107072621
5-[(2R,4R)-4-methylpiperidin-2-yl]-3H-1,3,4-oxadiazole-2-thione
CID 67801962
5-(5-methyloxolan-2-yl)-1H-1,2,4-triazol-3-amine
CID 81330712
(2R,4R)-4-methyl-2-(2H-tetrazol-5-yl)piperidine
CID 70338968
5-(3-bicyclo[4.1.0]heptanyl)-1H-1,2,4-triazol-3-amine
CID 164645808
5-(2-adamantyl)-1H-1,2,4-triazol-3-amine
CID 81096033
3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 136589176
5-(thian-4-yl)-1H-1,2,4-triazol-3-amine
CID 115016759

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine (CID 114426843) is 5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine is CC1CCNC(c2nc(N)n[nH]2)C1.
What is the InChIKey of 5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is ARJHNJKXYZXUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-5-2-3-10-6(4-5)7-11-8(9)13-12-7/h5-6,10H,2-4H2,1H3,(H3,9,11,12,13).
What are the key properties of 5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine?
5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 181.24 g/mol, XLogP of 0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 114426843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).