[5-(1-iminopropan-2-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]methanol

C9H16N4O — CID 123191696

IUPAC[5-(1-iminopropan-2-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILES[H]/N=C/C(C)c1nc(CO)nn1C(C)C
InChIInChI=1S/C9H16N4O/c1-6(2)13-9(7(3)4-10)11-8(5-14)12-13/h4,6-7,10,14H,5H2,1-3H3/b10-4+
InChIKeyMUYDZYOBFNAECC-ONNFQVAWSA-N
MW196.25 g/mol
LogP1.10
Rot. Bonds4

About [5-(1-iminopropan-2-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]methanol

[5-(1-iminopropan-2-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]methanol (PubChem CID 123191696) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is [5-(1-iminopropan-2-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(1-iminopropan-2-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]methanol
PubChem CID123191696
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name[5-(1-iminopropan-2-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILES[H]/N=C/C(C)c1nc(CO)nn1C(C)C
InChIInChI=1S/C9H16N4O/c1-6(2)13-9(7(3)4-10)11-8(5-14)12-13/h4,6-7,10,14H,5H2,1-3H3/b10-4+
InChIKeyMUYDZYOBFNAECC-ONNFQVAWSA-N
XLogP1.10
TPSA74.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-Methylethyl)-1H-1,2,4-triazole-5-methanol
CID 13624273
[5-Propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 129190894
2-{[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]amino}propan-1-ol
CID 50958564
[1,5-Di(propan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 58204408
(1-Ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 58204412
3-(Methoxymethyl)-1,5-di(propan-2-yl)-1,2,4-triazole
CID 58204416
1-(2-Propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 58337035
2-(3-Propan-2-yl-1,2,4-triazol-1-yl)ethanol
CID 68103676
2-(5-Propan-2-yl-1,2,4-triazol-1-yl)ethanol
CID 68103678
(5-Methyl-1-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 68355365
2-[5-(Methoxymethyl)-2-propan-2-yl-1,2,4-triazol-3-yl]propan-1-imine
CID 123319464
2-(5-Methyl-2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-imine
CID 123932053

Frequently Asked Questions

What is the IUPAC name of [5-(1-iminopropan-2-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(1-iminopropan-2-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]methanol (CID 123191696) is [5-(1-iminopropan-2-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(1-iminopropan-2-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(1-iminopropan-2-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]methanol is [H]/N=C/C(C)c1nc(CO)nn1C(C)C.
What is the InChIKey of [5-(1-iminopropan-2-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The InChIKey is MUYDZYOBFNAECC-ONNFQVAWSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(2)13-9(7(3)4-10)11-8(5-14)12-13/h4,6-7,10,14H,5H2,1-3H3/b10-4+.
What are the key properties of [5-(1-iminopropan-2-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]methanol?
[5-(1-iminopropan-2-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]methanol has a molecular weight of 196.25 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-iminopropan-2-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 123191696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).