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

C6H12N4O — CID 94191697

IUPAC(1R,2R)-1-amino-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol
SMILESCc1nc([C@@H](N)[C@@H](C)O)n[nH]1
InChIInChI=1S/C6H12N4O/c1-3(11)5(7)6-8-4(2)9-10-6/h3,5,11H,7H2,1-2H3,(H,8,9,10)/t3-,5+/m1/s1
InChIKeyOUZIPXWLWASJQJ-WUJLRWPWSA-N
MW156.19 g/mol
LogP-0.51
Rot. Bonds2

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

(1R,2R)-1-amino-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 94191697) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is (1R,2R)-1-amino-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID94191697
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name(1R,2R)-1-amino-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol
SMILESCc1nc([C@@H](N)[C@@H](C)O)n[nH]1
InChIInChI=1S/C6H12N4O/c1-3(11)5(7)6-8-4(2)9-10-6/h3,5,11H,7H2,1-2H3,(H,8,9,10)/t3-,5+/m1/s1
InChIKeyOUZIPXWLWASJQJ-WUJLRWPWSA-N
XLogP-0.51
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of (1R,2R)-1-amino-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol (CID 94191697) is (1R,2R)-1-amino-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol is Cc1nc([C@@H](N)[C@@H](C)O)n[nH]1.
What is the InChIKey of (1R,2R)-1-amino-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is OUZIPXWLWASJQJ-WUJLRWPWSA-N. The full InChI is InChI=1S/C6H12N4O/c1-3(11)5(7)6-8-4(2)9-10-6/h3,5,11H,7H2,1-2H3,(H,8,9,10)/t3-,5+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol?
(1R,2R)-1-amino-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 156.19 g/mol, XLogP of -0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 94191697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).