4-[(2S)-2-amino-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]phenol

C14H20N4O — CID 104905977

IUPAC4-[(2S)-2-amino-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]phenol
SMILESCCCn1c(C)nnc1[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C14H20N4O/c1-3-8-18-10(2)16-17-14(18)13(15)9-11-4-6-12(19)7-5-11/h4-7,13,19H,3,8-9,15H2,1-2H3/t13-/m0/s1
InChIKeyNEPYTOYXOHPRKH-ZDUSSCGKSA-N
MW260.34 g/mol
LogP1.94
Rot. Bonds5

About 4-[(2S)-2-amino-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]phenol

4-[(2S)-2-amino-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]phenol (PubChem CID 104905977) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[(2S)-2-amino-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[(2S)-2-amino-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]phenol
PubChem CID104905977
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-[(2S)-2-amino-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]phenol
SMILESCCCn1c(C)nnc1[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C14H20N4O/c1-3-8-18-10(2)16-17-14(18)13(15)9-11-4-6-12(19)7-5-11/h4-7,13,19H,3,8-9,15H2,1-2H3/t13-/m0/s1
InChIKeyNEPYTOYXOHPRKH-ZDUSSCGKSA-N
XLogP1.94
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine
CID 61378390
4-[(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol
CID 94552493
4-[2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol
CID 62694256
(S)-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-phenylmethanamine
CID 104899172
(1S)-2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)butan-1-amine
CID 104900421
4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol
CID 104905990
4-[2-amino-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]phenol
CID 43142794
4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol
CID 82895858
1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 61377430
4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol
CID 104905997
ethyl 2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-3-phenylpropanoate
CID 79482471
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]phenol?
The IUPAC name of 4-[(2S)-2-amino-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]phenol (CID 104905977) is 4-[(2S)-2-amino-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]phenol.
What is the SMILES notation for 4-[(2S)-2-amino-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]phenol?
The canonical SMILES for 4-[(2S)-2-amino-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]phenol is CCCn1c(C)nnc1[C@@H](N)Cc1ccc(O)cc1.
What is the InChIKey of 4-[(2S)-2-amino-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]phenol?
The InChIKey is NEPYTOYXOHPRKH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-8-18-10(2)16-17-14(18)13(15)9-11-4-6-12(19)7-5-11/h4-7,13,19H,3,8-9,15H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]phenol?
4-[(2S)-2-amino-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]phenol has a molecular weight of 260.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]phenol is sourced from PubChem (CID 104905977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).