N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-1H-1,2,4-triazole-5-carboxamide

C15H19N7O2 — CID 91784647

IUPACN-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NC1CC(c2cc(N3CCC(O)C3)ncn2)C1)c1ncn[nH]1
InChIInChI=1S/C15H19N7O2/c23-11-1-2-22(6-11)13-5-12(16-7-17-13)9-3-10(4-9)20-15(24)14-18-8-19-21-14/h5,7-11,23H,1-4,6H2,(H,20,24)(H,18,19,21)
InChIKeyILMXJEVAQONRGB-UHFFFAOYSA-N
MW329.36 g/mol
LogP-0.16
Rot. Bonds4

About N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-1H-1,2,4-triazole-5-carboxamide

N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 91784647) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID91784647
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC NameN-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NC1CC(c2cc(N3CCC(O)C3)ncn2)C1)c1ncn[nH]1
InChIInChI=1S/C15H19N7O2/c23-11-1-2-22(6-11)13-5-12(16-7-17-13)9-3-10(4-9)20-15(24)14-18-8-19-21-14/h5,7-11,23H,1-4,6H2,(H,20,24)(H,18,19,21)
InChIKeyILMXJEVAQONRGB-UHFFFAOYSA-N
XLogP-0.16
TPSA119.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-thiophen-3-ylacetamide
CID 91783191
N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 67184534
N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 97146633
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
N-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 178044684
[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434882
N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175649015
N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide
CID 155974233
methyl (2S,4S)-1-methyl-4-(1H-1,2,4-triazole-5-carbonylamino)pyrrolidine-2-carboxylate
CID 50972787
N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide
CID 91774100
1,5-dimethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide
CID 91764304

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-1H-1,2,4-triazole-5-carboxamide (CID 91784647) is N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-1H-1,2,4-triazole-5-carboxamide is O=C(NC1CC(c2cc(N3CCC(O)C3)ncn2)C1)c1ncn[nH]1.
What is the InChIKey of N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is ILMXJEVAQONRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O2/c23-11-1-2-22(6-11)13-5-12(16-7-17-13)9-3-10(4-9)20-15(24)14-18-8-19-21-14/h5,7-11,23H,1-4,6H2,(H,20,24)(H,18,19,21).
What are the key properties of N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-1H-1,2,4-triazole-5-carboxamide?
N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 329.36 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 91784647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).