(2R,3R)-3-methoxy-1-(1,2,4-triazol-1-yl)pentan-2-amine

C8H16N4O — CID 135133067

IUPAC(2R,3R)-3-methoxy-1-(1,2,4-triazol-1-yl)pentan-2-amine
SMILESCC[C@@H](OC)[C@H](N)Cn1cncn1
InChIInChI=1S/C8H16N4O/c1-3-8(13-2)7(9)4-12-6-10-5-11-12/h5-8H,3-4,9H2,1-2H3/t7-,8-/m1/s1
InChIKeyFQWCRUPAZCCMMW-HTQZYQBOSA-N
MW184.24 g/mol
LogP0.03
Rot. Bonds5

About (2R,3R)-3-methoxy-1-(1,2,4-triazol-1-yl)pentan-2-amine

(2R,3R)-3-methoxy-1-(1,2,4-triazol-1-yl)pentan-2-amine (PubChem CID 135133067) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is (2R,3R)-3-methoxy-1-(1,2,4-triazol-1-yl)pentan-2-amine.

Molecular Properties

Compound Name(2R,3R)-3-methoxy-1-(1,2,4-triazol-1-yl)pentan-2-amine
PubChem CID135133067
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name(2R,3R)-3-methoxy-1-(1,2,4-triazol-1-yl)pentan-2-amine
SMILESCC[C@@H](OC)[C@H](N)Cn1cncn1
InChIInChI=1S/C8H16N4O/c1-3-8(13-2)7(9)4-12-6-10-5-11-12/h5-8H,3-4,9H2,1-2H3/t7-,8-/m1/s1
InChIKeyFQWCRUPAZCCMMW-HTQZYQBOSA-N
XLogP0.03
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methoxy-1-(1,2,4-triazol-1-yl)pentan-2-amine?
The IUPAC name of (2R,3R)-3-methoxy-1-(1,2,4-triazol-1-yl)pentan-2-amine (CID 135133067) is (2R,3R)-3-methoxy-1-(1,2,4-triazol-1-yl)pentan-2-amine.
What is the SMILES notation for (2R,3R)-3-methoxy-1-(1,2,4-triazol-1-yl)pentan-2-amine?
The canonical SMILES for (2R,3R)-3-methoxy-1-(1,2,4-triazol-1-yl)pentan-2-amine is CC[C@@H](OC)[C@H](N)Cn1cncn1.
What is the InChIKey of (2R,3R)-3-methoxy-1-(1,2,4-triazol-1-yl)pentan-2-amine?
The InChIKey is FQWCRUPAZCCMMW-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16N4O/c1-3-8(13-2)7(9)4-12-6-10-5-11-12/h5-8H,3-4,9H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-3-methoxy-1-(1,2,4-triazol-1-yl)pentan-2-amine?
(2R,3R)-3-methoxy-1-(1,2,4-triazol-1-yl)pentan-2-amine has a molecular weight of 184.24 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methoxy-1-(1,2,4-triazol-1-yl)pentan-2-amine is sourced from PubChem (CID 135133067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).