[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

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

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Related Compounds

1-(3-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 61749839
[5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]methanamine hydrochloride
CID 122156641
1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride
CID 122163926
[5-(aminomethyl)-4H-1,2,4-triazol-3-yl]methanol hydrochloride
CID 126817079
(1S)-1-[5-(Aminomethyl)-1H-1,2,4-triazol-3-yl]ethanol;hydrochloride
CID 137935635
(1R)-1-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]ethan-1-ol hydrochloride
CID 137935759
(1R)-1-(5-Methyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride
CID 137935871
(2S)-2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethan-1-ol dihydrochloride
CID 137951967
(1S)-1-(5-Methyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride
CID 138040122
[3-[(1S)-1-Aminoethyl]-1H-1,2,4-triazol-5-yl]methanol;hydrochloride
CID 155858655
{5-[(1r)-1-Aminoethyl]-4h-1,2,4-triazol-3-yl}methanol dihydrochloride
CID 155858828
{3-[(1S)-1-aminoethyl]-1H-1,2,4-triazol-5-yl}methanol dihydrochloride
CID 155943806

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).