1-methyl-4-(1,2,4-triazol-1-ylmethyl)piperidine

C9H16N4 — CID 127001978

IUPAC1-methyl-4-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESCN1CCC(Cn2cncn2)CC1
InChIInChI=1S/C9H16N4/c1-12-4-2-9(3-5-12)6-13-8-10-7-11-13/h7-9H,2-6H2,1H3
InChIKeyWNNQAZSKKPBRSL-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.62
Rot. Bonds2

About 1-methyl-4-(1,2,4-triazol-1-ylmethyl)piperidine

1-methyl-4-(1,2,4-triazol-1-ylmethyl)piperidine (PubChem CID 127001978) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methyl-4-(1,2,4-triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(1,2,4-triazol-1-ylmethyl)piperidine
PubChem CID127001978
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-methyl-4-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESCN1CCC(Cn2cncn2)CC1
InChIInChI=1S/C9H16N4/c1-12-4-2-9(3-5-12)6-13-8-10-7-11-13/h7-9H,2-6H2,1H3
InChIKeyWNNQAZSKKPBRSL-UHFFFAOYSA-N
XLogP0.62
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The IUPAC name of 1-methyl-4-(1,2,4-triazol-1-ylmethyl)piperidine (CID 127001978) is 1-methyl-4-(1,2,4-triazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-methyl-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-methyl-4-(1,2,4-triazol-1-ylmethyl)piperidine is CN1CCC(Cn2cncn2)CC1.
What is the InChIKey of 1-methyl-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The InChIKey is WNNQAZSKKPBRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-12-4-2-9(3-5-12)6-13-8-10-7-11-13/h7-9H,2-6H2,1H3.
What are the key properties of 1-methyl-4-(1,2,4-triazol-1-ylmethyl)piperidine?
1-methyl-4-(1,2,4-triazol-1-ylmethyl)piperidine has a molecular weight of 180.25 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,2,4-triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 127001978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).