N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H19N7O2 — CID 138012615

IUPACN-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ccnc1[C@@H]1OCCC[C@H]1NC(=O)c1nc2ncccn2n1
InChIInChI=1S/C16H19N7O2/c1-2-22-9-7-17-14(22)12-11(5-3-10-25-12)19-15(24)13-20-16-18-6-4-8-23(16)21-13/h4,6-9,11-12H,2-3,5,10H2,1H3,(H,19,24)/t11-,12-/m1/s1
InChIKeyPQZSMQGCFVMOMZ-VXGBXAGGSA-N
MW341.38 g/mol
LogP0.99
Rot. Bonds4

About N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 138012615) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID138012615
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC NameN-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ccnc1[C@@H]1OCCC[C@H]1NC(=O)c1nc2ncccn2n1
InChIInChI=1S/C16H19N7O2/c1-2-22-9-7-17-14(22)12-11(5-3-10-25-12)19-15(24)13-20-16-18-6-4-8-23(16)21-13/h4,6-9,11-12H,2-3,5,10H2,1H3,(H,19,24)/t11-,12-/m1/s1
InChIKeyPQZSMQGCFVMOMZ-VXGBXAGGSA-N
XLogP0.99
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 138012615) is N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCn1ccnc1[C@@H]1OCCC[C@H]1NC(=O)c1nc2ncccn2n1.
What is the InChIKey of N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is PQZSMQGCFVMOMZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-2-22-9-7-17-14(22)12-11(5-3-10-25-12)19-15(24)13-20-16-18-6-4-8-23(16)21-13/h4,6-9,11-12H,2-3,5,10H2,1H3,(H,19,24)/t11-,12-/m1/s1.
What are the key properties of N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 341.38 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 138012615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).