6-oxo-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide

C15H16N8O2 — CID 97148817

IUPAC6-oxo-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(N[C@H]1CCc2[nH]ncc2C1)c1cnc(Cn2cncn2)[nH]c1=O
InChIInChI=1S/C15H16N8O2/c24-14(20-10-1-2-12-9(3-10)4-18-22-12)11-5-17-13(21-15(11)25)6-23-8-16-7-19-23/h4-5,7-8,10H,1-3,6H2,(H,18,22)(H,20,24)(H,17,21,25)/t10-/m0/s1
InChIKeyITXJSTKVXDBSCY-JTQLQIEISA-N
MW340.35 g/mol
LogP-0.58
Rot. Bonds4

About 6-oxo-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide

6-oxo-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 97148817) has the molecular formula C15H16N8O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 6-oxo-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID97148817
Molecular FormulaC15H16N8O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name6-oxo-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(N[C@H]1CCc2[nH]ncc2C1)c1cnc(Cn2cncn2)[nH]c1=O
InChIInChI=1S/C15H16N8O2/c24-14(20-10-1-2-12-9(3-10)4-18-22-12)11-5-17-13(21-15(11)25)6-23-8-16-7-19-23/h4-5,7-8,10H,1-3,6H2,(H,18,22)(H,20,24)(H,17,21,25)/t10-/m0/s1
InChIKeyITXJSTKVXDBSCY-JTQLQIEISA-N
XLogP-0.58
TPSA134.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-oxo-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 70751645
3-methyl-1-propyl-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]pyrazole-4-carboxamide
CID 97147352
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(1,2,4-triazol-1-yl)butanamide
CID 131913662
N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 70738724
N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 97115290
(3S)-2-[6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 97137105
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 97121154
5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide
CID 166218790
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 70780210
5-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidin-6-one
CID 97128769
1-(2-amino-2-oxoethyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperidine-4-carboxamide
CID 97119621
4-(2,4-dioxoimidazolidin-1-yl)-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide
CID 97137408

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-oxo-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 97148817) is 6-oxo-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-oxo-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-oxo-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide is O=C(N[C@H]1CCc2[nH]ncc2C1)c1cnc(Cn2cncn2)[nH]c1=O.
What is the InChIKey of 6-oxo-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is ITXJSTKVXDBSCY-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16N8O2/c24-14(20-10-1-2-12-9(3-10)4-18-22-12)11-5-17-13(21-15(11)25)6-23-8-16-7-19-23/h4-5,7-8,10H,1-3,6H2,(H,18,22)(H,20,24)(H,17,21,25)/t10-/m0/s1.
What are the key properties of 6-oxo-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
6-oxo-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 340.35 g/mol, XLogP of -0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97148817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).