2-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidin-1-amine

C9H17N5 — CID 82400074

IUPAC2-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidin-1-amine
SMILESCc1nc(C2CCCCN2N)nn1C
InChIInChI=1S/C9H17N5/c1-7-11-9(12-13(7)2)8-5-3-4-6-14(8)10/h8H,3-6,10H2,1-2H3
InChIKeyPBBVPTXOVWQAMU-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.52
Rot. Bonds1

About 2-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidin-1-amine

2-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidin-1-amine (PubChem CID 82400074) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidin-1-amine.

Molecular Properties

Compound Name2-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidin-1-amine
PubChem CID82400074
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name2-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidin-1-amine
SMILESCc1nc(C2CCCCN2N)nn1C
InChIInChI=1S/C9H17N5/c1-7-11-9(12-13(7)2)8-5-3-4-6-14(8)10/h8H,3-6,10H2,1-2H3
InChIKeyPBBVPTXOVWQAMU-UHFFFAOYSA-N
XLogP0.52
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

3-(azetidin-3-yl)-1,5-dimethyl-1,2,4-triazole
CID 84649668
4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine
CID 95817120
2-(7-methylimidazo[1,2-c]pyrimidin-5-yl)azepan-1-amine
CID 82384867
(2R)-2-(6-chloro-5-methoxy-3-pyridinyl)piperidin-1-amine
CID 141031286
2-(2-methyl-1-benzofuran-3-yl)azepan-1-amine
CID 82385581
6-(1-aminopiperidin-2-yl)-1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 82383496
8-methyl-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136604
2-methylpiperidin-1-amine
CID 18794277
2-pyridin-3-ylpiperidin-1-amine
CID 5026347
(2R)-2-(5-bromo-6-chloro-3-pyridinyl)piperidin-1-amine
CID 141031211
5-methyl-2-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117155447
2-methyl-5-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]-1,2,4-triazol-3-amine
CID 136562665

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidin-1-amine?
The IUPAC name of 2-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidin-1-amine (CID 82400074) is 2-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidin-1-amine.
What is the SMILES notation for 2-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidin-1-amine?
The canonical SMILES for 2-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidin-1-amine is Cc1nc(C2CCCCN2N)nn1C.
What is the InChIKey of 2-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidin-1-amine?
The InChIKey is PBBVPTXOVWQAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-7-11-9(12-13(7)2)8-5-3-4-6-14(8)10/h8H,3-6,10H2,1-2H3.
What are the key properties of 2-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidin-1-amine?
2-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidin-1-amine has a molecular weight of 195.27 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidin-1-amine is sourced from PubChem (CID 82400074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).