(1S)-2-methyl-1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propan-1-amine

C10H18N4O — CID 97288538

IUPAC(1S)-2-methyl-1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propan-1-amine
SMILESCC(C)[C@H](N)c1n[nH]c([C@H]2CCCO2)n1
InChIInChI=1S/C10H18N4O/c1-6(2)8(11)10-12-9(13-14-10)7-4-3-5-15-7/h6-8H,3-5,11H2,1-2H3,(H,12,13,14)/t7-,8+/m1/s1
InChIKeyFBOLPPDWEIHMRR-SFYZADRCSA-N
MW210.28 g/mol
LogP1.31
Rot. Bonds3

About (1S)-2-methyl-1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propan-1-amine

(1S)-2-methyl-1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propan-1-amine (PubChem CID 97288538) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is (1S)-2-methyl-1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propan-1-amine
PubChem CID97288538
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name(1S)-2-methyl-1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propan-1-amine
SMILESCC(C)[C@H](N)c1n[nH]c([C@H]2CCCO2)n1
InChIInChI=1S/C10H18N4O/c1-6(2)8(11)10-12-9(13-14-10)7-4-3-5-15-7/h6-8H,3-5,11H2,1-2H3,(H,12,13,14)/t7-,8+/m1/s1
InChIKeyFBOLPPDWEIHMRR-SFYZADRCSA-N
XLogP1.31
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propan-1-amine?
The IUPAC name of (1S)-2-methyl-1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propan-1-amine (CID 97288538) is (1S)-2-methyl-1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propan-1-amine is CC(C)[C@H](N)c1n[nH]c([C@H]2CCCO2)n1.
What is the InChIKey of (1S)-2-methyl-1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propan-1-amine?
The InChIKey is FBOLPPDWEIHMRR-SFYZADRCSA-N. The full InChI is InChI=1S/C10H18N4O/c1-6(2)8(11)10-12-9(13-14-10)7-4-3-5-15-7/h6-8H,3-5,11H2,1-2H3,(H,12,13,14)/t7-,8+/m1/s1.
What are the key properties of (1S)-2-methyl-1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propan-1-amine?
(1S)-2-methyl-1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propan-1-amine has a molecular weight of 210.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propan-1-amine is sourced from PubChem (CID 97288538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).