3-[(1R)-1-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one

C14H19N7O — CID 136740178

IUPAC3-[(1R)-1-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCc1cc(N[C@H](C)c2n[nH]c(=O)[nH]2)n2nc(C)c(C)c2n1
InChIInChI=1S/C14H19N7O/c1-5-10-6-11(15-9(4)12-17-14(22)19-18-12)21-13(16-10)7(2)8(3)20-21/h6,9,15H,5H2,1-4H3,(H2,17,18,19,22)/t9-/m1/s1
InChIKeyVIVWPFSYWCGFST-SECBINFHSA-N
MW301.35 g/mol
LogP1.49
Rot. Bonds4

About 3-[(1R)-1-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[(1R)-1-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136740178) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[(1R)-1-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[(1R)-1-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136740178
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name3-[(1R)-1-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCc1cc(N[C@H](C)c2n[nH]c(=O)[nH]2)n2nc(C)c(C)c2n1
InChIInChI=1S/C14H19N7O/c1-5-10-6-11(15-9(4)12-17-14(22)19-18-12)21-13(16-10)7(2)8(3)20-21/h6,9,15H,5H2,1-4H3,(H2,17,18,19,22)/t9-/m1/s1
InChIKeyVIVWPFSYWCGFST-SECBINFHSA-N
XLogP1.49
TPSA103.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[(1R)-1-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 56906125
2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70708814
(4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
CID 95880768
(4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one
CID 95875756
5-ethyl-N-(1H-imidazol-2-ylmethyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70772919
4-[(1R)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol
CID 95868851
(4S)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 95880704
5-ethyl-2,3-dimethyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95868991
5-ethyl-2,3-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;dihydrochloride
CID 154894521
N-cyclohexyl-3-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
CID 70717031
N-[(1R)-1-(furan-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95870518
1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol
CID 70757938

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[(1R)-1-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 136740178) is 3-[(1R)-1-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[(1R)-1-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[(1R)-1-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one is CCc1cc(N[C@H](C)c2n[nH]c(=O)[nH]2)n2nc(C)c(C)c2n1.
What is the InChIKey of 3-[(1R)-1-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is VIVWPFSYWCGFST-SECBINFHSA-N. The full InChI is InChI=1S/C14H19N7O/c1-5-10-6-11(15-9(4)12-17-14(22)19-18-12)21-13(16-10)7(2)8(3)20-21/h6,9,15H,5H2,1-4H3,(H2,17,18,19,22)/t9-/m1/s1.
What are the key properties of 3-[(1R)-1-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[(1R)-1-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 301.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136740178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).