N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide

C17H22N8O2 — CID 97115290

IUPACN-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCCn1nc(C)c([C@H](C)NC(=O)c2cnc(Cn3cncn3)[nH]c2=O)c1C
InChIInChI=1S/C17H22N8O2/c1-5-25-12(4)15(11(3)23-25)10(2)21-16(26)13-6-19-14(22-17(13)27)7-24-9-18-8-20-24/h6,8-10H,5,7H2,1-4H3,(H,21,26)(H,19,22,27)/t10-/m0/s1
InChIKeyYYFMJLRFTQJZFS-JTQLQIEISA-N
MW370.42 g/mol
LogP0.73
Rot. Bonds6

About N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide

N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 97115290) has the molecular formula C17H22N8O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID97115290
Molecular FormulaC17H22N8O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC NameN-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCCn1nc(C)c([C@H](C)NC(=O)c2cnc(Cn3cncn3)[nH]c2=O)c1C
InChIInChI=1S/C17H22N8O2/c1-5-25-12(4)15(11(3)23-25)10(2)21-16(26)13-6-19-14(22-17(13)27)7-24-9-18-8-20-24/h6,8-10H,5,7H2,1-4H3,(H,21,26)(H,19,22,27)/t10-/m0/s1
InChIKeyYYFMJLRFTQJZFS-JTQLQIEISA-N
XLogP0.73
TPSA123.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

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-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 97121154
N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 70738724
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-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
CID 137125644
5-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 95230186
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-2-(phenylsulfanylmethyl)-1H-pyrimidine-5-carboxamide
CID 97125920
N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 97210670
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-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 138054926
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 118793475
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 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) is N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide is CCn1nc(C)c([C@H](C)NC(=O)c2cnc(Cn3cncn3)[nH]c2=O)c1C.
What is the InChIKey of N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is YYFMJLRFTQJZFS-JTQLQIEISA-N. The full InChI is InChI=1S/C17H22N8O2/c1-5-25-12(4)15(11(3)23-25)10(2)21-16(26)13-6-19-14(22-17(13)27)7-24-9-18-8-20-24/h6,8-10H,5,7H2,1-4H3,(H,21,26)(H,19,22,27)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97115290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).