N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide

C12H15N7O — CID 75267831

IUPACN-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide
SMILESO=C(NCc1cccnc1-n1cncn1)C1CCNN1
InChIInChI=1S/C12H15N7O/c20-12(10-3-5-16-18-10)15-6-9-2-1-4-14-11(9)19-8-13-7-17-19/h1-2,4,7-8,10,16,18H,3,5-6H2,(H,15,20)
InChIKeySSOCPCGDIZSFAZ-UHFFFAOYSA-N
MW273.30 g/mol
LogP-0.86
Rot. Bonds4

About N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide

N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide (PubChem CID 75267831) has the molecular formula C12H15N7O and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide
PubChem CID75267831
Molecular FormulaC12H15N7O
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide
SMILESO=C(NCc1cccnc1-n1cncn1)C1CCNN1
InChIInChI=1S/C12H15N7O/c20-12(10-3-5-16-18-10)15-6-9-2-1-4-14-11(9)19-8-13-7-17-19/h1-2,4,7-8,10,16,18H,3,5-6H2,(H,15,20)
InChIKeySSOCPCGDIZSFAZ-UHFFFAOYSA-N
XLogP-0.86
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1,1-dioxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]thiolane-3-carboxamide
CID 94026506
3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 56822123
1-[(2S)-3-methylbutan-2-yl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 94027698
2-[(2R)-oxolan-2-yl]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 94026509
(3S)-3-cyclohexyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide
CID 95310400
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide
CID 31968520
(4R)-7-fluoro-2-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51949084
(2R)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
CID 104913643
(2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
CID 104913644
2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
1-(2-cyclopentylsulfanylphenyl)-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55701789
(2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 61169536

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide?
The IUPAC name of N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide (CID 75267831) is N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide?
The canonical SMILES for N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide is O=C(NCc1cccnc1-n1cncn1)C1CCNN1.
What is the InChIKey of N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide?
The InChIKey is SSOCPCGDIZSFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O/c20-12(10-3-5-16-18-10)15-6-9-2-1-4-14-11(9)19-8-13-7-17-19/h1-2,4,7-8,10,16,18H,3,5-6H2,(H,15,20).
What are the key properties of N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide?
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide has a molecular weight of 273.30 g/mol, XLogP of -0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 75267831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).