N-methyl-N-[[4-[(1-methyltriazol-4-yl)methyl]phenyl]methyl]prop-2-yn-1-amine

C15H18N4 — CID 132579938

IUPACN-methyl-N-[[4-[(1-methyltriazol-4-yl)methyl]phenyl]methyl]prop-2-yn-1-amine
SMILESC#CCN(C)Cc1ccc(Cc2cn(C)nn2)cc1
InChIInChI=1S/C15H18N4/c1-4-9-18(2)11-14-7-5-13(6-8-14)10-15-12-19(3)17-16-15/h1,5-8,12H,9-11H2,2-3H3
InChIKeyFTYCTGZWJXCXGA-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.47
Rot. Bonds5

About N-methyl-N-[[4-[(1-methyltriazol-4-yl)methyl]phenyl]methyl]prop-2-yn-1-amine

N-methyl-N-[[4-[(1-methyltriazol-4-yl)methyl]phenyl]methyl]prop-2-yn-1-amine (PubChem CID 132579938) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-methyl-N-[[4-[(1-methyltriazol-4-yl)methyl]phenyl]methyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-[(1-methyltriazol-4-yl)methyl]phenyl]methyl]prop-2-yn-1-amine
PubChem CID132579938
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-methyl-N-[[4-[(1-methyltriazol-4-yl)methyl]phenyl]methyl]prop-2-yn-1-amine
SMILESC#CCN(C)Cc1ccc(Cc2cn(C)nn2)cc1
InChIInChI=1S/C15H18N4/c1-4-9-18(2)11-14-7-5-13(6-8-14)10-15-12-19(3)17-16-15/h1,5-8,12H,9-11H2,2-3H3
InChIKeyFTYCTGZWJXCXGA-UHFFFAOYSA-N
XLogP1.47
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[(1-methyltriazol-4-yl)methyl]phenyl]methyl]prop-2-yn-1-amine?
The IUPAC name of N-methyl-N-[[4-[(1-methyltriazol-4-yl)methyl]phenyl]methyl]prop-2-yn-1-amine (CID 132579938) is N-methyl-N-[[4-[(1-methyltriazol-4-yl)methyl]phenyl]methyl]prop-2-yn-1-amine.
What is the SMILES notation for N-methyl-N-[[4-[(1-methyltriazol-4-yl)methyl]phenyl]methyl]prop-2-yn-1-amine?
The canonical SMILES for N-methyl-N-[[4-[(1-methyltriazol-4-yl)methyl]phenyl]methyl]prop-2-yn-1-amine is C#CCN(C)Cc1ccc(Cc2cn(C)nn2)cc1.
What is the InChIKey of N-methyl-N-[[4-[(1-methyltriazol-4-yl)methyl]phenyl]methyl]prop-2-yn-1-amine?
The InChIKey is FTYCTGZWJXCXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-4-9-18(2)11-14-7-5-13(6-8-14)10-15-12-19(3)17-16-15/h1,5-8,12H,9-11H2,2-3H3.
What are the key properties of N-methyl-N-[[4-[(1-methyltriazol-4-yl)methyl]phenyl]methyl]prop-2-yn-1-amine?
N-methyl-N-[[4-[(1-methyltriazol-4-yl)methyl]phenyl]methyl]prop-2-yn-1-amine has a molecular weight of 254.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[(1-methyltriazol-4-yl)methyl]phenyl]methyl]prop-2-yn-1-amine is sourced from PubChem (CID 132579938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).