N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide

C15H18N8O2 — CID 97121154

IUPACN-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCC[C@@H](NC(=O)c1cnc(Cn2cncn2)[nH]c1=O)c1ccnn1C
InChIInChI=1S/C15H18N8O2/c1-3-11(12-4-5-18-22(12)2)20-14(24)10-6-17-13(21-15(10)25)7-23-9-16-8-19-23/h4-6,8-9,11H,3,7H2,1-2H3,(H,20,24)(H,17,21,25)/t11-/m1/s1
InChIKeyOTBKKUYMFCKBEJ-LLVKDONJSA-N
MW342.36 g/mol
LogP0.02
Rot. Bonds6

About N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide

N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 97121154) has the molecular formula C15H18N8O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID97121154
Molecular FormulaC15H18N8O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC NameN-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCC[C@@H](NC(=O)c1cnc(Cn2cncn2)[nH]c1=O)c1ccnn1C
InChIInChI=1S/C15H18N8O2/c1-3-11(12-4-5-18-22(12)2)20-14(24)10-6-17-13(21-15(10)25)7-23-9-16-8-19-23/h4-6,8-9,11H,3,7H2,1-2H3,(H,20,24)(H,17,21,25)/t11-/m1/s1
InChIKeyOTBKKUYMFCKBEJ-LLVKDONJSA-N
XLogP0.02
TPSA123.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 95525394
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
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
N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 70738724
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 126425657
5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide
CID 91783089
6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-oxo-1H-pyridine-2-carboxamide
CID 126436244
3-hydroxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-2-carboxamide
CID 91773008
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
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97203575
4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide
CID 125437307

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 97121154) is N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide is CC[C@@H](NC(=O)c1cnc(Cn2cncn2)[nH]c1=O)c1ccnn1C.
What is the InChIKey of N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is OTBKKUYMFCKBEJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N8O2/c1-3-11(12-4-5-18-22(12)2)20-14(24)10-6-17-13(21-15(10)25)7-23-9-16-8-19-23/h4-6,8-9,11H,3,7H2,1-2H3,(H,20,24)(H,17,21,25)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97121154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).