[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium

C10H13N4+ — CID 7128983

IUPAC[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium
SMILESC[C@@H]([NH3+])c1ccc(-n2cncn2)cc1
InChIInChI=1S/C10H12N4/c1-8(11)9-2-4-10(5-3-9)14-7-12-6-13-14/h2-8H,11H2,1H3/p+1/t8-/m1/s1
InChIKeyLWCNLFHKRQJWOW-MRVPVSSYSA-O
MW189.24 g/mol
LogP0.57
Rot. Bonds2

About [(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium

[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium (PubChem CID 7128983) has the molecular formula C10H13N4+ and a molecular weight of 189.24 g/mol. Its IUPAC name is [(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium
PubChem CID7128983
Molecular FormulaC10H13N4+
Molecular Weight189.24 g/mol
Exact Mass189.11
IUPAC Name[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium
SMILESC[C@@H]([NH3+])c1ccc(-n2cncn2)cc1
InChIInChI=1S/C10H12N4/c1-8(11)9-2-4-10(5-3-9)14-7-12-6-13-14/h2-8H,11H2,1H3/p+1/t8-/m1/s1
InChIKeyLWCNLFHKRQJWOW-MRVPVSSYSA-O
XLogP0.57
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,2,4-triazole
CID 59380837
2-hydroxy-2-[4-(1,2,4-triazol-1-yl)phenyl]acetic acid
CID 117311806
N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]prop-2-en-1-amine
CID 86907029
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119271886
2-methyl-3-[4-(1,2,4-triazol-1-yl)phenyl]propanoic acid
CID 82513030
1-[4-(2-methylbutyl)phenyl]-1,2,4-triazole
CID 146588062
1,4-bis[4-(1,2,4-triazol-1-yl)phenyl]piperazine
CID 141429794
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]cyclohexanecarboxamide
CID 17427032
N-(3-methylbutyl)-4-(1,2,4-triazol-1-yl)aniline
CID 54862631
2,3-dihydroxy-3-[4-(1,2,4-triazol-1-yl)phenyl]propanenitrile
CID 171871498
N-butan-2-yl-4-(1,2,4-triazol-1-yl)aniline
CID 60928165
2,3,4,5,6-pentamethyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8815199

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium?
The IUPAC name of [(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium (CID 7128983) is [(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium.
What is the SMILES notation for [(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium?
The canonical SMILES for [(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium is C[C@@H]([NH3+])c1ccc(-n2cncn2)cc1.
What is the InChIKey of [(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium?
The InChIKey is LWCNLFHKRQJWOW-MRVPVSSYSA-O. The full InChI is InChI=1S/C10H12N4/c1-8(11)9-2-4-10(5-3-9)14-7-12-6-13-14/h2-8H,11H2,1H3/p+1/t8-/m1/s1.
What are the key properties of [(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium?
[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium has a molecular weight of 189.24 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium is sourced from PubChem (CID 7128983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).