N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C13H15N7O2 — CID 125436430

IUPACN-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cnn([C@H](C)CNC(=O)c2cnc3nc[nH]n3c2=O)c1
InChIInChI=1S/C13H15N7O2/c1-8-3-17-19(6-8)9(2)4-14-11(21)10-5-15-13-16-7-18-20(13)12(10)22/h3,5-7,9H,4H2,1-2H3,(H,14,21)(H,15,16,18)/t9-/m1/s1
InChIKeyBRLUJAPPWAFTKM-SECBINFHSA-N
MW301.31 g/mol
LogP-0.09
Rot. Bonds4

About N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 125436430) has the molecular formula C13H15N7O2 and a molecular weight of 301.31 g/mol. Its IUPAC name is N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID125436430
Molecular FormulaC13H15N7O2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC NameN-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cnn([C@H](C)CNC(=O)c2cnc3nc[nH]n3c2=O)c1
InChIInChI=1S/C13H15N7O2/c1-8-3-17-19(6-8)9(2)4-14-11(21)10-5-15-13-16-7-18-20(13)12(10)22/h3,5-7,9H,4H2,1-2H3,(H,14,21)(H,15,16,18)/t9-/m1/s1
InChIKeyBRLUJAPPWAFTKM-SECBINFHSA-N
XLogP-0.09
TPSA109.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-[2-(4-methylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 122558961
N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 125435251
N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 90651733
4-chloro-5-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 125438270
N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-2-methylsulfonylacetamide
CID 125437102
(3S)-3-(4-methylpyrazol-1-yl)butanoic acid
CID 93345108
(E)-N-[2-(4-methylpyrazol-1-yl)propyl]hex-3-enamide
CID 122565602
(E)-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]hex-3-enamide
CID 125442770
7-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 99995548
1-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]indole-6-carboxamide
CID 125442836
2-(3-fluorophenyl)-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]acetamide
CID 125447632
4-(4-methylpyrazol-1-yl)pentanoic acid
CID 62213453

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 125436430) is N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cnn([C@H](C)CNC(=O)c2cnc3nc[nH]n3c2=O)c1.
What is the InChIKey of N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is BRLUJAPPWAFTKM-SECBINFHSA-N. The full InChI is InChI=1S/C13H15N7O2/c1-8-3-17-19(6-8)9(2)4-14-11(21)10-5-15-13-16-7-18-20(13)12(10)22/h3,5-7,9H,4H2,1-2H3,(H,14,21)(H,15,16,18)/t9-/m1/s1.
What are the key properties of N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 301.31 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 125436430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).