N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-2-ethyltriazole-4-carboxamide

C13H22N4O2 — CID 164638739

IUPACN-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-2-ethyltriazole-4-carboxamide
SMILESCCn1ncc(C(=O)NC[C@H]2CCCC(C)(C)O2)n1
InChIInChI=1S/C13H22N4O2/c1-4-17-15-9-11(16-17)12(18)14-8-10-6-5-7-13(2,3)19-10/h9-10H,4-8H2,1-3H3,(H,14,18)/t10-/m1/s1
InChIKeyYEDUTOICXPCNPV-SNVBAGLBSA-N
MW266.34 g/mol
LogP1.38
Rot. Bonds4

About N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-2-ethyltriazole-4-carboxamide

N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-2-ethyltriazole-4-carboxamide (PubChem CID 164638739) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-2-ethyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-2-ethyltriazole-4-carboxamide
PubChem CID164638739
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-2-ethyltriazole-4-carboxamide
SMILESCCn1ncc(C(=O)NC[C@H]2CCCC(C)(C)O2)n1
InChIInChI=1S/C13H22N4O2/c1-4-17-15-9-11(16-17)12(18)14-8-10-6-5-7-13(2,3)19-10/h9-10H,4-8H2,1-3H3,(H,14,18)/t10-/m1/s1
InChIKeyYEDUTOICXPCNPV-SNVBAGLBSA-N
XLogP1.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-2-ethyltriazole-4-carboxamide?
The IUPAC name of N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-2-ethyltriazole-4-carboxamide (CID 164638739) is N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-2-ethyltriazole-4-carboxamide.
What is the SMILES notation for N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-2-ethyltriazole-4-carboxamide?
The canonical SMILES for N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-2-ethyltriazole-4-carboxamide is CCn1ncc(C(=O)NC[C@H]2CCCC(C)(C)O2)n1.
What is the InChIKey of N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-2-ethyltriazole-4-carboxamide?
The InChIKey is YEDUTOICXPCNPV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-17-15-9-11(16-17)12(18)14-8-10-6-5-7-13(2,3)19-10/h9-10H,4-8H2,1-3H3,(H,14,18)/t10-/m1/s1.
What are the key properties of N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-2-ethyltriazole-4-carboxamide?
N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-2-ethyltriazole-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-2-ethyltriazole-4-carboxamide is sourced from PubChem (CID 164638739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).