N-[(5-methyloxolan-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline

C15H20N4O — CID 82834712

IUPACN-[(5-methyloxolan-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCC1CCC(CNc2ccccc2-c2nncn2C)O1
InChIInChI=1S/C15H20N4O/c1-11-7-8-12(20-11)9-16-14-6-4-3-5-13(14)15-18-17-10-19(15)2/h3-6,10-12,16H,7-9H2,1-2H3
InChIKeyTUMJSGNFNHQLGO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.46
Rot. Bonds4

About N-[(5-methyloxolan-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline

N-[(5-methyloxolan-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 82834712) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID82834712
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(5-methyloxolan-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCC1CCC(CNc2ccccc2-c2nncn2C)O1
InChIInChI=1S/C15H20N4O/c1-11-7-8-12(20-11)9-16-14-6-4-3-5-13(14)15-18-17-10-19(15)2/h3-6,10-12,16H,7-9H2,1-2H3
InChIKeyTUMJSGNFNHQLGO-UHFFFAOYSA-N
XLogP2.46
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 9903932
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-ethyl-1,2,4-triazol-3-yl)aniline
CID 22493263
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propyl-1,2,4-triazol-3-yl)aniline
CID 22493265
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methyl-1H-1,2,4-triazol-5-yl)aniline
CID 22493343
2-(2-butyl-1,2,4-triazol-3-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 22493367
1-(Oxolan-2-ylmethyl)-4-(4-phenyl-1,2,4-triazol-3-yl)piperidine
CID 53192549
N-tetrahydro-2-furanylmethyl-N'-[3-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea
CID 91916966
(2R*,6S*)-2,6-dimethyl-4-{2-[1-(2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl}morpholine
CID 70766365
5-Fluoro-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline
CID 55107304
3-Fluoro-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline
CID 55108013
4-Fluoro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]aniline
CID 61351654
4-Fluoro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
CID 61376038

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline (CID 82834712) is N-[(5-methyloxolan-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-[(5-methyloxolan-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline is CC1CCC(CNc2ccccc2-c2nncn2C)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is TUMJSGNFNHQLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-7-8-12(20-11)9-16-14-6-4-3-5-13(14)15-18-17-10-19(15)2/h3-6,10-12,16H,7-9H2,1-2H3.
What are the key properties of N-[(5-methyloxolan-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline?
N-[(5-methyloxolan-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 272.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 82834712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).