1-(3-amino-1H-1,2,4-triazol-5-yl)propan-2-ol

C5H10N4O — CID 54086471

IUPAC1-(3-amino-1H-1,2,4-triazol-5-yl)propan-2-ol
SMILESCC(O)Cc1nc(N)n[nH]1
InChIInChI=1S/C5H10N4O/c1-3(10)2-4-7-5(6)9-8-4/h3,10H,2H2,1H3,(H3,6,7,8,9)
InChIKeyMQVQXUBMVPNWGA-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.69
Rot. Bonds2

About 1-(3-amino-1H-1,2,4-triazol-5-yl)propan-2-ol

1-(3-amino-1H-1,2,4-triazol-5-yl)propan-2-ol (PubChem CID 54086471) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 1-(3-amino-1H-1,2,4-triazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-amino-1H-1,2,4-triazol-5-yl)propan-2-ol
PubChem CID54086471
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name1-(3-amino-1H-1,2,4-triazol-5-yl)propan-2-ol
SMILESCC(O)Cc1nc(N)n[nH]1
InChIInChI=1S/C5H10N4O/c1-3(10)2-4-7-5(6)9-8-4/h3,10H,2H2,1H3,(H3,6,7,8,9)
InChIKeyMQVQXUBMVPNWGA-UHFFFAOYSA-N
XLogP-0.69
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1H-1,2,4-triazol-5-yl)propan-2-ol?
The IUPAC name of 1-(3-amino-1H-1,2,4-triazol-5-yl)propan-2-ol (CID 54086471) is 1-(3-amino-1H-1,2,4-triazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(3-amino-1H-1,2,4-triazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(3-amino-1H-1,2,4-triazol-5-yl)propan-2-ol is CC(O)Cc1nc(N)n[nH]1.
What is the InChIKey of 1-(3-amino-1H-1,2,4-triazol-5-yl)propan-2-ol?
The InChIKey is MQVQXUBMVPNWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-3(10)2-4-7-5(6)9-8-4/h3,10H,2H2,1H3,(H3,6,7,8,9).
What are the key properties of 1-(3-amino-1H-1,2,4-triazol-5-yl)propan-2-ol?
1-(3-amino-1H-1,2,4-triazol-5-yl)propan-2-ol has a molecular weight of 142.16 g/mol, XLogP of -0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1H-1,2,4-triazol-5-yl)propan-2-ol is sourced from PubChem (CID 54086471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).