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

C15H20N4O — CID 82834065

IUPACN-[(5-methyloxolan-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
SMILESCC1CCC(CNc2ccc(Cn3cncn3)cc2)O1
InChIInChI=1S/C15H20N4O/c1-12-2-7-15(20-12)8-17-14-5-3-13(4-6-14)9-19-11-16-10-18-19/h3-6,10-12,15,17H,2,7-9H2,1H3
InChIKeyXBWQASXZMKPOCD-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.31
Rot. Bonds5

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

N-[(5-methyloxolan-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline (PubChem CID 82834065) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
PubChem CID82834065
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(5-methyloxolan-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
SMILESCC1CCC(CNc2ccc(Cn3cncn3)cc2)O1
InChIInChI=1S/C15H20N4O/c1-12-2-7-15(20-12)8-17-14-5-3-13(4-6-14)9-19-11-16-10-18-19/h3-6,10-12,15,17H,2,7-9H2,1H3
InChIKeyXBWQASXZMKPOCD-UHFFFAOYSA-N
XLogP2.31
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopentylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 62071913
N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 3322898
N-tert-butyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 143722818
N-[(5-methylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673373
N-[(4-methylphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673355
N-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 64761194
N-(1-cyclopropylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 64917969
4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide
CID 82834419
2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine
CID 82835481
4-butan-2-yl-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 82833888
N-[(3-methylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 66116387
N-(cyclopropylmethyl)-3-(1,2,4-triazol-1-ylmethyl)aniline
CID 54866198

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline?
The IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline (CID 82834065) is N-[(5-methyloxolan-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline?
The canonical SMILES for N-[(5-methyloxolan-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline is CC1CCC(CNc2ccc(Cn3cncn3)cc2)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline?
The InChIKey is XBWQASXZMKPOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12-2-7-15(20-12)8-17-14-5-3-13(4-6-14)9-19-11-16-10-18-19/h3-6,10-12,15,17H,2,7-9H2,1H3.
What are the key properties of N-[(5-methyloxolan-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline?
N-[(5-methyloxolan-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline has a molecular weight of 272.35 g/mol, XLogP of 2.31, 5 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]-4-(1,2,4-triazol-1-ylmethyl)aniline is sourced from PubChem (CID 82834065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).