7-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C14H21N5O2 — CID 106167113

IUPAC7-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)NC(C)(CC)CCO)cnc2ncnn12
InChIInChI=1S/C14H21N5O2/c1-4-11-10(8-15-13-16-9-17-19(11)13)12(21)18-14(3,5-2)6-7-20/h8-9,20H,4-7H2,1-3H3,(H,18,21)
InChIKeyHAGYCGPUXRISJI-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.97
Rot. Bonds6

About 7-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 106167113) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 7-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID106167113
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name7-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)NC(C)(CC)CCO)cnc2ncnn12
InChIInChI=1S/C14H21N5O2/c1-4-11-10(8-15-13-16-9-17-19(11)13)12(21)18-14(3,5-2)6-7-20/h8-9,20H,4-7H2,1-3H3,(H,18,21)
InChIKeyHAGYCGPUXRISJI-UHFFFAOYSA-N
XLogP0.97
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 106167113) is 7-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCc1c(C(=O)NC(C)(CC)CCO)cnc2ncnn12.
What is the InChIKey of 7-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is HAGYCGPUXRISJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-4-11-10(8-15-13-16-9-17-19(11)13)12(21)18-14(3,5-2)6-7-20/h8-9,20H,4-7H2,1-3H3,(H,18,21).
What are the key properties of 7-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 106167113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).