1-(5-amino-1H-1,2,4-triazol-3-yl)-6-methylpiperidine-3-carboxamide

C9H16N6O — CID 66276485

IUPAC1-(5-amino-1H-1,2,4-triazol-3-yl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1n[nH]c(N)n1
InChIInChI=1S/C9H16N6O/c1-5-2-3-6(7(10)16)4-15(5)9-12-8(11)13-14-9/h5-6H,2-4H2,1H3,(H2,10,16)(H3,11,12,13,14)
InChIKeyZTRNSMDYQKVCRQ-UHFFFAOYSA-N
MW224.27 g/mol
LogP-0.52
Rot. Bonds2

About 1-(5-amino-1H-1,2,4-triazol-3-yl)-6-methylpiperidine-3-carboxamide

1-(5-amino-1H-1,2,4-triazol-3-yl)-6-methylpiperidine-3-carboxamide (PubChem CID 66276485) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-(5-amino-1H-1,2,4-triazol-3-yl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-amino-1H-1,2,4-triazol-3-yl)-6-methylpiperidine-3-carboxamide
PubChem CID66276485
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name1-(5-amino-1H-1,2,4-triazol-3-yl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1n[nH]c(N)n1
InChIInChI=1S/C9H16N6O/c1-5-2-3-6(7(10)16)4-15(5)9-12-8(11)13-14-9/h5-6H,2-4H2,1H3,(H2,10,16)(H3,11,12,13,14)
InChIKeyZTRNSMDYQKVCRQ-UHFFFAOYSA-N
XLogP-0.52
TPSA113.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)-6-methylpiperidine-3-carboxamide (CID 66276485) is 1-(5-amino-1H-1,2,4-triazol-3-yl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(5-amino-1H-1,2,4-triazol-3-yl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(5-amino-1H-1,2,4-triazol-3-yl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1c1n[nH]c(N)n1.
What is the InChIKey of 1-(5-amino-1H-1,2,4-triazol-3-yl)-6-methylpiperidine-3-carboxamide?
The InChIKey is ZTRNSMDYQKVCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O/c1-5-2-3-6(7(10)16)4-15(5)9-12-8(11)13-14-9/h5-6H,2-4H2,1H3,(H2,10,16)(H3,11,12,13,14).
What are the key properties of 1-(5-amino-1H-1,2,4-triazol-3-yl)-6-methylpiperidine-3-carboxamide?
1-(5-amino-1H-1,2,4-triazol-3-yl)-6-methylpiperidine-3-carboxamide has a molecular weight of 224.27 g/mol, XLogP of -0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-1,2,4-triazol-3-yl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 66276485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).