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

C9H15N5O — CID 63654699

IUPACN-methyl-N-piperidin-4-yl-1H-1,2,4-triazole-5-carboxamide
SMILESCN(C(=O)c1ncn[nH]1)C1CCNCC1
InChIInChI=1S/C9H15N5O/c1-14(7-2-4-10-5-3-7)9(15)8-11-6-12-13-8/h6-7,10H,2-5H2,1H3,(H,11,12,13)
InChIKeyYRCRRFPCVUDWRZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.37
Rot. Bonds2

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

N-methyl-N-piperidin-4-yl-1H-1,2,4-triazole-5-carboxamide (PubChem CID 63654699) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-1H-1,2,4-triazole-5-carboxamide
PubChem CID63654699
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC NameN-methyl-N-piperidin-4-yl-1H-1,2,4-triazole-5-carboxamide
SMILESCN(C(=O)c1ncn[nH]1)C1CCNCC1
InChIInChI=1S/C9H15N5O/c1-14(7-2-4-10-5-3-7)9(15)8-11-6-12-13-8/h6-7,10H,2-5H2,1H3,(H,11,12,13)
InChIKeyYRCRRFPCVUDWRZ-UHFFFAOYSA-N
XLogP-0.37
TPSA73.91 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-piperidin-4-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 119441420
N-methyl-N-piperidin-4-ylpyrazine-2-carboxamide;hydrochloride
CID 71641434
N,5-dimethyl-N-piperidin-4-ylpyrazine-2-carboxamide
CID 43602095
N-methyl-N-piperidin-4-ylpyrazine-2-carboxamide
CID 43602062
N,3,5-trimethyl-N-piperidin-4-ylbenzamide
CID 43602069
3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119441233
N-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide
CID 107172492
3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
CID 114022754
N,N-diethyl-1H-1,2,4-triazole-5-carboxamide
CID 3345983
3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442005
N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 103120629
2-chloro-N-methyl-N-piperidin-4-ylfuran-3-carboxamide
CID 106688438

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-methyl-N-piperidin-4-yl-1H-1,2,4-triazole-5-carboxamide (CID 63654699) is N-methyl-N-piperidin-4-yl-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-methyl-N-piperidin-4-yl-1H-1,2,4-triazole-5-carboxamide is CN(C(=O)c1ncn[nH]1)C1CCNCC1.
What is the InChIKey of N-methyl-N-piperidin-4-yl-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is YRCRRFPCVUDWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-14(7-2-4-10-5-3-7)9(15)8-11-6-12-13-8/h6-7,10H,2-5H2,1H3,(H,11,12,13).
What are the key properties of N-methyl-N-piperidin-4-yl-1H-1,2,4-triazole-5-carboxamide?
N-methyl-N-piperidin-4-yl-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 63654699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).