N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide

C9H15N5O — CID 67184534

IUPACN-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C9H15N5O/c1-14-4-2-7(3-5-14)12-9(15)8-10-6-11-13-8/h6-7H,2-5H2,1H3,(H,12,15)(H,10,11,13)
InChIKeyLCGWMWNNSCPBEK-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.37
Rot. Bonds2

About N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide

N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 67184534) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID67184534
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC NameN-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C9H15N5O/c1-14-4-2-7(3-5-14)12-9(15)8-10-6-11-13-8/h6-7H,2-5H2,1H3,(H,12,15)(H,10,11,13)
InChIKeyLCGWMWNNSCPBEK-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

methyl (2S,4S)-1-methyl-4-(1H-1,2,4-triazole-5-carbonylamino)pyrrolidine-2-carboxylate
CID 50972787
N-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 178044684
[4-oxo-4-[4-(1H-1,2,4-triazole-5-carbonylamino)piperidin-1-yl]butyl] carbamate
CID 175284797
N-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
CID 130556518
N-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 90633421
N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-1H-1,2,4-triazole-5-carboxamide
CID 91784647
N-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide
CID 110466807
3-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 64524814
N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 2914105
3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide
CID 47293314
N-[(1R,2R)-2-aminocyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 102724932
N-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 55245594

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide (CID 67184534) is N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide is CN1CCC(NC(=O)c2ncn[nH]2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is LCGWMWNNSCPBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-14-4-2-7(3-5-14)12-9(15)8-10-6-11-13-8/h6-7H,2-5H2,1H3,(H,12,15)(H,10,11,13).
What are the key properties of N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide?
N-(1-methylpiperidin-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-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 67184534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).