N-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide

C9H15N5O — CID 131449897

IUPACN-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c(C2CCNCC2)n1
InChIInChI=1S/C9H15N5O/c1-10-9(15)8-12-7(13-14-8)6-2-4-11-5-3-6/h6,11H,2-5H2,1H3,(H,10,15)(H,12,13,14)
InChIKeyPHOULJCXJNFEHA-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.37
Rot. Bonds2

About N-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide

N-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 131449897) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is N-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide
PubChem CID131449897
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC NameN-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c(C2CCNCC2)n1
InChIInChI=1S/C9H15N5O/c1-10-9(15)8-12-7(13-14-8)6-2-4-11-5-3-6/h6,11H,2-5H2,1H3,(H,10,15)(H,12,13,14)
InChIKeyPHOULJCXJNFEHA-UHFFFAOYSA-N
XLogP-0.37
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide (CID 131449897) is N-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide is CNC(=O)c1n[nH]c(C2CCNCC2)n1.
What is the InChIKey of N-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is PHOULJCXJNFEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-10-9(15)8-12-7(13-14-8)6-2-4-11-5-3-6/h6,11H,2-5H2,1H3,(H,10,15)(H,12,13,14).
What are the key properties of N-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide?
N-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 131449897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).