N-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide

C9H15N5O — CID 106995382

IUPACN-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide
SMILESCC1CC(NC(=O)c2cn[nH]n2)CCN1
InChIInChI=1S/C9H15N5O/c1-6-4-7(2-3-10-6)12-9(15)8-5-11-14-13-8/h5-7,10H,2-4H2,1H3,(H,12,15)(H,11,13,14)
InChIKeyCFDUDHDYMCXISX-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.32
Rot. Bonds2

About N-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide

N-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide (PubChem CID 106995382) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide
PubChem CID106995382
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC NameN-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide
SMILESCC1CC(NC(=O)c2cn[nH]n2)CCN1
InChIInChI=1S/C9H15N5O/c1-6-4-7(2-3-10-6)12-9(15)8-5-11-14-13-8/h5-7,10H,2-4H2,1H3,(H,12,15)(H,11,13,14)
InChIKeyCFDUDHDYMCXISX-UHFFFAOYSA-N
XLogP-0.32
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 ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methylpyrrolidin-3-yl)-2H-triazole-4-carboxamide
CID 131036378
N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733318
N-(2-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 120600756
4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63283411
N-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide
CID 113226189
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 74244989
N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 112733890
N-(1-cyclopropylpyrrolidin-3-yl)-2H-triazole-4-carboxamide
CID 47937761
2-methyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 107093535
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
5-methyl-N-(2-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 120597862
N-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide
CID 78918284

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide (CID 106995382) is N-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide is CC1CC(NC(=O)c2cn[nH]n2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide?
The InChIKey is CFDUDHDYMCXISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-6-4-7(2-3-10-6)12-9(15)8-5-11-14-13-8/h5-7,10H,2-4H2,1H3,(H,12,15)(H,11,13,14).
What are the key properties of N-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide?
N-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 106995382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).