N,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine

C15H17N5 — CID 115945460

IUPACN,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2nccc3ccccc23)n1CC
InChIInChI=1S/C15H17N5/c1-3-16-15-19-18-14(20(15)4-2)13-12-8-6-5-7-11(12)9-10-17-13/h5-10H,3-4H2,1-2H3,(H,16,19)
InChIKeyYLDBRODYURUIDQ-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.94
Rot. Bonds4

About N,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine

N,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine (PubChem CID 115945460) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine
PubChem CID115945460
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2nccc3ccccc23)n1CC
InChIInChI=1S/C15H17N5/c1-3-16-15-19-18-14(20(15)4-2)13-12-8-6-5-7-11(12)9-10-17-13/h5-10H,3-4H2,1-2H3,(H,16,19)
InChIKeyYLDBRODYURUIDQ-UHFFFAOYSA-N
XLogP2.94
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine
CID 115945502
N,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine
CID 112596812
N,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine
CID 112596811
1-(1-methylimidazol-2-yl)isoquinoline
CID 69469686
N-ethyl-3-isoquinolin-1-yl-1,2,4-oxadiazol-5-amine
CID 63950489
5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596641
5-(1,3-dimethylpyrazol-4-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 102801445
3-isoquinolin-1-yl-4-propyl-1H-1,2,4-triazole-5-thione
CID 115389728
N,4-diethyl-5-(phenoxymethyl)-1,2,4-triazol-3-amine
CID 112596730
N,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine
CID 112596739
2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol
CID 136926765
5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 107938614

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine (CID 115945460) is N,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine is CCNc1nnc(-c2nccc3ccccc23)n1CC.
What is the InChIKey of N,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine?
The InChIKey is YLDBRODYURUIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-3-16-15-19-18-14(20(15)4-2)13-12-8-6-5-7-11(12)9-10-17-13/h5-10H,3-4H2,1-2H3,(H,16,19).
What are the key properties of N,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine?
N,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine has a molecular weight of 267.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 115945460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).