[3-[(1R)-1-aminopropyl]-1H-1,2,4-triazol-5-yl]methanol

C6H12N4O — CID 125449176

IUPAC[3-[(1R)-1-aminopropyl]-1H-1,2,4-triazol-5-yl]methanol
SMILESCC[C@@H](N)c1n[nH]c(CO)n1
InChIInChI=1S/C6H12N4O/c1-2-4(7)6-8-5(3-11)9-10-6/h4,11H,2-3,7H2,1H3,(H,8,9,10)/t4-/m1/s1
InChIKeyAZWOOACJEUPPKH-SCSAIBSYSA-N
MW156.19 g/mol
LogP-0.29
Rot. Bonds3

About [3-[(1R)-1-aminopropyl]-1H-1,2,4-triazol-5-yl]methanol

[3-[(1R)-1-aminopropyl]-1H-1,2,4-triazol-5-yl]methanol (PubChem CID 125449176) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is [3-[(1R)-1-aminopropyl]-1H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[(1R)-1-aminopropyl]-1H-1,2,4-triazol-5-yl]methanol
PubChem CID125449176
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name[3-[(1R)-1-aminopropyl]-1H-1,2,4-triazol-5-yl]methanol
SMILESCC[C@@H](N)c1n[nH]c(CO)n1
InChIInChI=1S/C6H12N4O/c1-2-4(7)6-8-5(3-11)9-10-6/h4,11H,2-3,7H2,1H3,(H,8,9,10)/t4-/m1/s1
InChIKeyAZWOOACJEUPPKH-SCSAIBSYSA-N
XLogP-0.29
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(1R)-1-aminopropyl]-1H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of [3-[(1R)-1-aminopropyl]-1H-1,2,4-triazol-5-yl]methanol (CID 125449176) is [3-[(1R)-1-aminopropyl]-1H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for [3-[(1R)-1-aminopropyl]-1H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for [3-[(1R)-1-aminopropyl]-1H-1,2,4-triazol-5-yl]methanol is CC[C@@H](N)c1n[nH]c(CO)n1.
What is the InChIKey of [3-[(1R)-1-aminopropyl]-1H-1,2,4-triazol-5-yl]methanol?
The InChIKey is AZWOOACJEUPPKH-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-2-4(7)6-8-5(3-11)9-10-6/h4,11H,2-3,7H2,1H3,(H,8,9,10)/t4-/m1/s1.
What are the key properties of [3-[(1R)-1-aminopropyl]-1H-1,2,4-triazol-5-yl]methanol?
[3-[(1R)-1-aminopropyl]-1H-1,2,4-triazol-5-yl]methanol has a molecular weight of 156.19 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1R)-1-aminopropyl]-1H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 125449176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).