N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C12H15N5O4 — CID 107847089

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESO=C(NC(CO)(CO)CO)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C12H15N5O4/c18-4-12(5-19,6-20)16-11(21)9-1-2-10(14-3-9)17-8-13-7-15-17/h1-3,7-8,18-20H,4-6H2,(H,16,21)
InChIKeyFKEXLRQDHOUZOV-UHFFFAOYSA-N
MW293.28 g/mol
LogP-1.89
Rot. Bonds6

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 107847089) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID107847089
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESO=C(NC(CO)(CO)CO)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C12H15N5O4/c18-4-12(5-19,6-20)16-11(21)9-1-2-10(14-3-9)17-8-13-7-15-17/h1-3,7-8,18-20H,4-6H2,(H,16,21)
InChIKeyFKEXLRQDHOUZOV-UHFFFAOYSA-N
XLogP-1.89
TPSA133.39 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 64555973
N-(2-hydroxyethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43416525
N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 79194159
N-[1-(aminomethyl)cyclopentyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 119567147
N-[2-(ethylamino)ethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 119507752
6-(1,2,4-triazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103725935
6-(1,2,4-triazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 60982812
N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43429763
N-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 106385679
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methylpyridine-3-carboxamide
CID 107846996
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 112809661
6-(1,2,4-triazol-1-yl)pyridine-3-carbothioamide
CID 2746789

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 107847089) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is O=C(NC(CO)(CO)CO)c1ccc(-n2cncn2)nc1.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is FKEXLRQDHOUZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c18-4-12(5-19,6-20)16-11(21)9-1-2-10(14-3-9)17-8-13-7-15-17/h1-3,7-8,18-20H,4-6H2,(H,16,21).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 293.28 g/mol, XLogP of -1.89, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 107847089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).