1-(3-methylphenyl)-4-(1-pyrrolidin-1-ylethenyl)triazole

C15H18N4 — CID 139421999

IUPAC1-(3-methylphenyl)-4-(1-pyrrolidin-1-ylethenyl)triazole
SMILESC=C(c1cn(-c2cccc(C)c2)nn1)N1CCCC1
InChIInChI=1S/C15H18N4/c1-12-6-5-7-14(10-12)19-11-15(16-17-19)13(2)18-8-3-4-9-18/h5-7,10-11H,2-4,8-9H2,1H3
InChIKeyOLEGMNVVPPGXAM-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.64
Rot. Bonds3

About 1-(3-methylphenyl)-4-(1-pyrrolidin-1-ylethenyl)triazole

1-(3-methylphenyl)-4-(1-pyrrolidin-1-ylethenyl)triazole (PubChem CID 139421999) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-(3-methylphenyl)-4-(1-pyrrolidin-1-ylethenyl)triazole.

Molecular Properties

Compound Name1-(3-methylphenyl)-4-(1-pyrrolidin-1-ylethenyl)triazole
PubChem CID139421999
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name1-(3-methylphenyl)-4-(1-pyrrolidin-1-ylethenyl)triazole
SMILESC=C(c1cn(-c2cccc(C)c2)nn1)N1CCCC1
InChIInChI=1S/C15H18N4/c1-12-6-5-7-14(10-12)19-11-15(16-17-19)13(2)18-8-3-4-9-18/h5-7,10-11H,2-4,8-9H2,1H3
InChIKeyOLEGMNVVPPGXAM-UHFFFAOYSA-N
XLogP2.64
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 119490474
(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 119374753
[(3R)-3-hydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 111561076
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 119594665
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 124690820
[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 124698513
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 119485152
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 119518752
[4-(3-methylphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 46407910
cis-(1S,3R)-3-[[1-(3-methylphenyl)triazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674914
azepan-1-yl-[1-(3-chlorophenyl)triazol-4-yl]methanone
CID 20973782
2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 154798156

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-4-(1-pyrrolidin-1-ylethenyl)triazole?
The IUPAC name of 1-(3-methylphenyl)-4-(1-pyrrolidin-1-ylethenyl)triazole (CID 139421999) is 1-(3-methylphenyl)-4-(1-pyrrolidin-1-ylethenyl)triazole.
What is the SMILES notation for 1-(3-methylphenyl)-4-(1-pyrrolidin-1-ylethenyl)triazole?
The canonical SMILES for 1-(3-methylphenyl)-4-(1-pyrrolidin-1-ylethenyl)triazole is C=C(c1cn(-c2cccc(C)c2)nn1)N1CCCC1.
What is the InChIKey of 1-(3-methylphenyl)-4-(1-pyrrolidin-1-ylethenyl)triazole?
The InChIKey is OLEGMNVVPPGXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-12-6-5-7-14(10-12)19-11-15(16-17-19)13(2)18-8-3-4-9-18/h5-7,10-11H,2-4,8-9H2,1H3.
What are the key properties of 1-(3-methylphenyl)-4-(1-pyrrolidin-1-ylethenyl)triazole?
1-(3-methylphenyl)-4-(1-pyrrolidin-1-ylethenyl)triazole has a molecular weight of 254.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-4-(1-pyrrolidin-1-ylethenyl)triazole is sourced from PubChem (CID 139421999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).