N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cinnolin-4-amine

C13H14N6 — CID 63586757

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cinnolin-4-amine
SMILESCn1cnnc1CCNc1cnnc2ccccc12
InChIInChI=1S/C13H14N6/c1-19-9-16-18-13(19)6-7-14-12-8-15-17-11-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H,14,17)
InChIKeyDWGJPECZFUFEMF-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.41
Rot. Bonds4

About N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cinnolin-4-amine

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cinnolin-4-amine (PubChem CID 63586757) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cinnolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cinnolin-4-amine
PubChem CID63586757
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cinnolin-4-amine
SMILESCn1cnnc1CCNc1cnnc2ccccc12
InChIInChI=1S/C13H14N6/c1-19-9-16-18-13(19)6-7-14-12-8-15-17-11-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H,14,17)
InChIKeyDWGJPECZFUFEMF-UHFFFAOYSA-N
XLogP1.41
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-pyrrolidin-1-ylethyl)cinnolin-4-amine
CID 63587707
N-(3-chlorobutyl)cinnolin-4-amine
CID 65028318
N,N-dimethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
CID 63330452
N-(4-chlorobutyl)cinnolin-4-amine
CID 106845043
N-ethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
CID 63330321
N-(2,2,2-trifluoroethyl)cinnolin-4-amine
CID 63586208
1-N-cinnolin-4-yl-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 63586754
N-(7-methyloctyl)cinnolin-4-amine
CID 107816241
methyl 3-(cinnolin-4-ylamino)propanoate
CID 63588842
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cinnolin-4-amine
CID 107489358
N-(5,5,5-trifluoropentyl)cinnolin-4-amine
CID 115520682
2-(4-methyl-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 63328798

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cinnolin-4-amine?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cinnolin-4-amine (CID 63586757) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cinnolin-4-amine.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cinnolin-4-amine?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cinnolin-4-amine is Cn1cnnc1CCNc1cnnc2ccccc12.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cinnolin-4-amine?
The InChIKey is DWGJPECZFUFEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-19-9-16-18-13(19)6-7-14-12-8-15-17-11-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H,14,17).
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cinnolin-4-amine?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cinnolin-4-amine has a molecular weight of 254.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cinnolin-4-amine is sourced from PubChem (CID 63586757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).