N,N-dimethyl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-1,2,4-triazol-3-amine

C13H17N5 — CID 114244303

IUPACN,N-dimethyl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-1,2,4-triazol-3-amine
SMILESCN(C)c1n[nH]c(C2CCNc3ccccc32)n1
InChIInChI=1S/C13H17N5/c1-18(2)13-15-12(16-17-13)10-7-8-14-11-6-4-3-5-9(10)11/h3-6,10,14H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyKJGUKYDPFKZECG-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.82
Rot. Bonds2

About N,N-dimethyl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-1,2,4-triazol-3-amine

N,N-dimethyl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 114244303) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N,N-dimethyl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-1,2,4-triazol-3-amine
PubChem CID114244303
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN,N-dimethyl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-1,2,4-triazol-3-amine
SMILESCN(C)c1n[nH]c(C2CCNc3ccccc32)n1
InChIInChI=1S/C13H17N5/c1-18(2)13-15-12(16-17-13)10-7-8-14-11-6-4-3-5-9(10)11/h3-6,10,14H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyKJGUKYDPFKZECG-UHFFFAOYSA-N
XLogP1.82
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-1,2,4-triazol-3-amine with MolForge

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Related Compounds

4-(1,2,3,4-tetrahydroquinolin-4-yl)-1,3-oxazole
CID 55279661
4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106779086
4-(2-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline
CID 155670658
3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indole
CID 80566356
N,N-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-1,2,4-triazol-3-amine
CID 114244272
8-(1,2,3,4-tetrahydroquinolin-4-yl)-7H-purin-6-amine
CID 114608057
4-(3-methylimidazo[4,5-c]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline
CID 114793439
(4R)-1,2,3,4-tetrahydroquinolin-4-amine
CID 29243671
4-methoxy-1,2,3,4-tetrahydroquinoline
CID 82275496
4-(3-propylphenyl)-1,2,3,4-tetrahydroquinoline
CID 116545640
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
CID 83022374
3-piperidin-1-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1,2,4-oxadiazole
CID 116807242

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of N,N-dimethyl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-1,2,4-triazol-3-amine (CID 114244303) is N,N-dimethyl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-1,2,4-triazol-3-amine is CN(C)c1n[nH]c(C2CCNc3ccccc32)n1.
What is the InChIKey of N,N-dimethyl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is KJGUKYDPFKZECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-18(2)13-15-12(16-17-13)10-7-8-14-11-6-4-3-5-9(10)11/h3-6,10,14H,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of N,N-dimethyl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-1,2,4-triazol-3-amine?
N,N-dimethyl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 243.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 114244303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).