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

C7H14N4O — CID 82412423

IUPAC4-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)butan-2-ol
SMILESCc1nc(C(C)(O)CCN)n[nH]1
InChIInChI=1S/C7H14N4O/c1-5-9-6(11-10-5)7(2,12)3-4-8/h12H,3-4,8H2,1-2H3,(H,9,10,11)
InChIKeyBAKJPTYEGWBYGF-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.33
Rot. Bonds3

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

4-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)butan-2-ol (PubChem CID 82412423) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 4-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name4-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)butan-2-ol
PubChem CID82412423
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name4-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)butan-2-ol
SMILESCc1nc(C(C)(O)CCN)n[nH]1
InChIInChI=1S/C7H14N4O/c1-5-9-6(11-10-5)7(2,12)3-4-8/h12H,3-4,8H2,1-2H3,(H,9,10,11)
InChIKeyBAKJPTYEGWBYGF-UHFFFAOYSA-N
XLogP-0.33
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)butan-2-ol?
The IUPAC name of 4-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)butan-2-ol (CID 82412423) is 4-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)butan-2-ol.
What is the SMILES notation for 4-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)butan-2-ol?
The canonical SMILES for 4-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)butan-2-ol is Cc1nc(C(C)(O)CCN)n[nH]1.
What is the InChIKey of 4-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)butan-2-ol?
The InChIKey is BAKJPTYEGWBYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-5-9-6(11-10-5)7(2,12)3-4-8/h12H,3-4,8H2,1-2H3,(H,9,10,11).
What are the key properties of 4-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)butan-2-ol?
4-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)butan-2-ol has a molecular weight of 170.22 g/mol, XLogP of -0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)butan-2-ol is sourced from PubChem (CID 82412423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).