N,3-dimethyl-2-[(2-phenyltriazol-4-yl)methylidene]butan-1-amine

C15H20N4 — CID 79339686

IUPACN,3-dimethyl-2-[(2-phenyltriazol-4-yl)methylidene]butan-1-amine
SMILESCNCC(=Cc1cnn(-c2ccccc2)n1)C(C)C
InChIInChI=1S/C15H20N4/c1-12(2)13(10-16-3)9-14-11-17-19(18-14)15-7-5-4-6-8-15/h4-9,11-12,16H,10H2,1-3H3
InChIKeyMLDXDXIIUIIONR-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.53
Rot. Bonds5

About N,3-dimethyl-2-[(2-phenyltriazol-4-yl)methylidene]butan-1-amine

N,3-dimethyl-2-[(2-phenyltriazol-4-yl)methylidene]butan-1-amine (PubChem CID 79339686) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N,3-dimethyl-2-[(2-phenyltriazol-4-yl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-[(2-phenyltriazol-4-yl)methylidene]butan-1-amine
PubChem CID79339686
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN,3-dimethyl-2-[(2-phenyltriazol-4-yl)methylidene]butan-1-amine
SMILESCNCC(=Cc1cnn(-c2ccccc2)n1)C(C)C
InChIInChI=1S/C15H20N4/c1-12(2)13(10-16-3)9-14-11-17-19(18-14)15-7-5-4-6-8-15/h4-9,11-12,16H,10H2,1-3H3
InChIKeyMLDXDXIIUIIONR-UHFFFAOYSA-N
XLogP2.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenyl-2H-1,2,3-triazol-4-yl)methanamine
CID 599268
N,N-dimethyl-1-(4-(((2-phenyl-2H-1,2,3-triazol-4-yl)methylamino)methyl)phenyl)methanamine
CID 8851244
N,N-dimethyl-1-[[(2-phenyltriazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 9115212
4-Methyl-2-phenyl-2h-1,2,3-triazole
CID 12686648
methyl((2-phenyl-2H-1,2,3-triazol-4-yl)methyl)amine hydrochloride
CID 54594671
2-cyclobutyl-N-[1-(2-methyltriazol-4-yl)ethyl]-1-phenylethanamine
CID 126822132
1-[(3R)-1-benzylazepan-3-yl]-N-[(2-ethyltriazol-4-yl)methyl]methanamine
CID 164634127
2-(4-Fluorophenyl)-4-propan-2-yltriazole
CID 71260805
2-(4-Fluorophenyl)-4-methyltriazole
CID 89409834
4-Tert-butyl-2-(4-fluorophenyl)triazole
CID 170179538
4-Cyclopropyl-2-(3-fluorophenyl)triazole
CID 175495580
4-Butan-2-yl-2-(3,5-difluorophenyl)triazole
CID 177982302

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[(2-phenyltriazol-4-yl)methylidene]butan-1-amine?
The IUPAC name of N,3-dimethyl-2-[(2-phenyltriazol-4-yl)methylidene]butan-1-amine (CID 79339686) is N,3-dimethyl-2-[(2-phenyltriazol-4-yl)methylidene]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-[(2-phenyltriazol-4-yl)methylidene]butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-[(2-phenyltriazol-4-yl)methylidene]butan-1-amine is CNCC(=Cc1cnn(-c2ccccc2)n1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-[(2-phenyltriazol-4-yl)methylidene]butan-1-amine?
The InChIKey is MLDXDXIIUIIONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12(2)13(10-16-3)9-14-11-17-19(18-14)15-7-5-4-6-8-15/h4-9,11-12,16H,10H2,1-3H3.
What are the key properties of N,3-dimethyl-2-[(2-phenyltriazol-4-yl)methylidene]butan-1-amine?
N,3-dimethyl-2-[(2-phenyltriazol-4-yl)methylidene]butan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[(2-phenyltriazol-4-yl)methylidene]butan-1-amine is sourced from PubChem (CID 79339686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).