1-amino-3-(triazol-1-yl)propan-2-ol

C5H10N4O — CID 18765667

IUPAC1-amino-3-(triazol-1-yl)propan-2-ol
SMILESNCC(O)Cn1ccnn1
InChIInChI=1S/C5H10N4O/c6-3-5(10)4-9-2-1-7-8-9/h1-2,5,10H,3-4,6H2
InChIKeyMJOYNKBCVVNDCM-UHFFFAOYSA-N
MW142.16 g/mol
LogP-1.40
Rot. Bonds3

About 1-amino-3-(triazol-1-yl)propan-2-ol

1-amino-3-(triazol-1-yl)propan-2-ol (PubChem CID 18765667) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 1-amino-3-(triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(triazol-1-yl)propan-2-ol
PubChem CID18765667
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name1-amino-3-(triazol-1-yl)propan-2-ol
SMILESNCC(O)Cn1ccnn1
InChIInChI=1S/C5H10N4O/c6-3-5(10)4-9-2-1-7-8-9/h1-2,5,10H,3-4,6H2
InChIKeyMJOYNKBCVVNDCM-UHFFFAOYSA-N
XLogP-1.40
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(triazol-1-yl)propan-2-ol?
The IUPAC name of 1-amino-3-(triazol-1-yl)propan-2-ol (CID 18765667) is 1-amino-3-(triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-amino-3-(triazol-1-yl)propan-2-ol is NCC(O)Cn1ccnn1.
What is the InChIKey of 1-amino-3-(triazol-1-yl)propan-2-ol?
The InChIKey is MJOYNKBCVVNDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c6-3-5(10)4-9-2-1-7-8-9/h1-2,5,10H,3-4,6H2.
What are the key properties of 1-amino-3-(triazol-1-yl)propan-2-ol?
1-amino-3-(triazol-1-yl)propan-2-ol has a molecular weight of 142.16 g/mol, XLogP of -1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(triazol-1-yl)propan-2-ol is sourced from PubChem (CID 18765667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).