2-amino-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethanol

C8H16N4O — CID 66165892

IUPAC2-amino-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethanol
SMILESCCCn1c(C)nnc1C(O)CN
InChIInChI=1S/C8H16N4O/c1-3-4-12-6(2)10-11-8(12)7(13)5-9/h7,13H,3-5,9H2,1-2H3
InChIKeyGCYAECYYSMCISR-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.01
Rot. Bonds4

About 2-amino-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethanol

2-amino-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 66165892) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-amino-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethanol
PubChem CID66165892
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name2-amino-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethanol
SMILESCCCn1c(C)nnc1C(O)CN
InChIInChI=1S/C8H16N4O/c1-3-4-12-6(2)10-11-8(12)7(13)5-9/h7,13H,3-5,9H2,1-2H3
InChIKeyGCYAECYYSMCISR-UHFFFAOYSA-N
XLogP-0.01
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 53613687
(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757591
1,1,1-Trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63899846
3-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 105645041
3-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methylamino]-1,1-difluoropropan-2-ol
CID 105645795
3-[(5-Ethyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol
CID 109967530
2-{[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]amino}propan-1-ol
CID 50958564
1-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethanol
CID 83387863
1-(5-Amino-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol;ethane
CID 156722464
1-(5-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethanol
CID 163741364
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 43524828
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 43524829

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 2-amino-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethanol (CID 66165892) is 2-amino-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 2-amino-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 2-amino-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethanol is CCCn1c(C)nnc1C(O)CN.
What is the InChIKey of 2-amino-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is GCYAECYYSMCISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-3-4-12-6(2)10-11-8(12)7(13)5-9/h7,13H,3-5,9H2,1-2H3.
What are the key properties of 2-amino-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethanol?
2-amino-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 184.24 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 66165892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).