7-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C12H17N5O2 — CID 93044643

IUPAC7-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)N[C@H](CC)CO)cnc2ncnn12
InChIInChI=1S/C12H17N5O2/c1-3-8(6-18)16-11(19)9-5-13-12-14-7-15-17(12)10(9)4-2/h5,7-8,18H,3-4,6H2,1-2H3,(H,16,19)/t8-/m1/s1
InChIKeyYQKSICCPLHMUEN-MRVPVSSYSA-N
MW263.30 g/mol
LogP0.19
Rot. Bonds5

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

7-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 93044643) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 7-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID93044643
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name7-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)N[C@H](CC)CO)cnc2ncnn12
InChIInChI=1S/C12H17N5O2/c1-3-8(6-18)16-11(19)9-5-13-12-14-7-15-17(12)10(9)4-2/h5,7-8,18H,3-4,6H2,1-2H3,(H,16,19)/t8-/m1/s1
InChIKeyYQKSICCPLHMUEN-MRVPVSSYSA-N
XLogP0.19
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 93044643) is 7-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCc1c(C(=O)N[C@H](CC)CO)cnc2ncnn12.
What is the InChIKey of 7-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is YQKSICCPLHMUEN-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-3-8(6-18)16-11(19)9-5-13-12-14-7-15-17(12)10(9)4-2/h5,7-8,18H,3-4,6H2,1-2H3,(H,16,19)/t8-/m1/s1.
What are the key properties of 7-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 93044643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).