N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine

C15H22N4 — CID 94073987

IUPACN-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine
SMILESCCn1nc(CNCC(C)C)c(-c2ccccc2)n1
InChIInChI=1S/C15H22N4/c1-4-19-17-14(11-16-10-12(2)3)15(18-19)13-8-6-5-7-9-13/h5-9,12,16H,4,10-11H2,1-3H3
InChIKeyAPQSWWMUTZNUNJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.71
Rot. Bonds6

About N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine

N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine (PubChem CID 94073987) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine
PubChem CID94073987
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine
SMILESCCn1nc(CNCC(C)C)c(-c2ccccc2)n1
InChIInChI=1S/C15H22N4/c1-4-19-17-14(11-16-10-12(2)3)15(18-19)13-8-6-5-7-9-13/h5-9,12,16H,4,10-11H2,1-3H3
InChIKeyAPQSWWMUTZNUNJ-UHFFFAOYSA-N
XLogP2.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124830978
(2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol
CID 51684317
2-[3-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propylamino]ethanol
CID 125114243
N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 133108212
(2S)-2-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol
CID 51684343
(2S)-1-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol
CID 124826116
N-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine
CID 94074032
(2S)-1-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol
CID 124826754
(2S)-1-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol
CID 124801639
(1R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]-1-phenylethanol
CID 124785919
N-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124825962
N-[(5-phenyl-2-propyltriazol-4-yl)methyl]hexan-1-amine
CID 119027529

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine (CID 94073987) is N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine is CCn1nc(CNCC(C)C)c(-c2ccccc2)n1.
What is the InChIKey of N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is APQSWWMUTZNUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-19-17-14(11-16-10-12(2)3)15(18-19)13-8-6-5-7-9-13/h5-9,12,16H,4,10-11H2,1-3H3.
What are the key properties of N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine?
N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 94073987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).