N-(4-ethyl-1,2,4-triazol-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H17N7O — CID 167991098

IUPACN-(4-ethyl-1,2,4-triazol-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cnnc1NC(=O)c1c(C)nn2c(C)cc(C)nc12
InChIInChI=1S/C14H17N7O/c1-5-20-7-15-18-14(20)17-13(22)11-10(4)19-21-9(3)6-8(2)16-12(11)21/h6-7H,5H2,1-4H3,(H,17,18,22)
InChIKeyVVUGKSKMMLFAMC-UHFFFAOYSA-N
MW299.34 g/mol
LogP1.52
Rot. Bonds3

About N-(4-ethyl-1,2,4-triazol-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-ethyl-1,2,4-triazol-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167991098) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is N-(4-ethyl-1,2,4-triazol-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-1,2,4-triazol-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID167991098
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC NameN-(4-ethyl-1,2,4-triazol-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cnnc1NC(=O)c1c(C)nn2c(C)cc(C)nc12
InChIInChI=1S/C14H17N7O/c1-5-20-7-15-18-14(20)17-13(22)11-10(4)19-21-9(3)6-8(2)16-12(11)21/h6-7H,5H2,1-4H3,(H,17,18,22)
InChIKeyVVUGKSKMMLFAMC-UHFFFAOYSA-N
XLogP1.52
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,2,4-triazol-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-ethyl-1,2,4-triazol-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167991098) is N-(4-ethyl-1,2,4-triazol-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-ethyl-1,2,4-triazol-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-ethyl-1,2,4-triazol-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cnnc1NC(=O)c1c(C)nn2c(C)cc(C)nc12.
What is the InChIKey of N-(4-ethyl-1,2,4-triazol-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VVUGKSKMMLFAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O/c1-5-20-7-15-18-14(20)17-13(22)11-10(4)19-21-9(3)6-8(2)16-12(11)21/h6-7H,5H2,1-4H3,(H,17,18,22).
What are the key properties of N-(4-ethyl-1,2,4-triazol-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-ethyl-1,2,4-triazol-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 299.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1,2,4-triazol-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167991098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).