[1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine

C11H20N4O — CID 82205498

IUPAC[1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine
SMILESCCCCn1nnc(CN)c1C1CCCO1
InChIInChI=1S/C11H20N4O/c1-2-3-6-15-11(9(8-12)13-14-15)10-5-4-7-16-10/h10H,2-8,12H2,1H3
InChIKeyLCVJGOLQJWMHAX-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.39
Rot. Bonds5

About [1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine

[1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine (PubChem CID 82205498) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is [1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine
PubChem CID82205498
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name[1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine
SMILESCCCCn1nnc(CN)c1C1CCCO1
InChIInChI=1S/C11H20N4O/c1-2-3-6-15-11(9(8-12)13-14-15)10-5-4-7-16-10/h10H,2-8,12H2,1H3
InChIKeyLCVJGOLQJWMHAX-UHFFFAOYSA-N
XLogP1.39
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-5-(oxolan-2-yl)triazole-4-carboxylic acid
CID 82205221
(5-cyclopropyl-1-pentyltriazol-4-yl)methanamine
CID 82205832
(5-cyclohexyl-1-hexyltriazol-4-yl)methanamine
CID 82206090
[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82221381
4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline
CID 82199693
(1-butyl-5-propyltriazol-4-yl)methanamine
CID 82205490
[1-(2-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82199059
1-ethyl-5-(oxolan-2-yl)triazole-4-carbonitrile
CID 82207234
[1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82197241
[1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82196348
1-(3-methylbutyl)-5-(oxolan-2-yl)triazole-4-carbonitrile
CID 82208236
1-(3-methylbutyl)-5-(oxolan-2-yl)triazole-4-carboxylic acid
CID 82208161

Frequently Asked Questions

What is the IUPAC name of [1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine?
The IUPAC name of [1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine (CID 82205498) is [1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine?
The canonical SMILES for [1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine is CCCCn1nnc(CN)c1C1CCCO1.
What is the InChIKey of [1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine?
The InChIKey is LCVJGOLQJWMHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-3-6-15-11(9(8-12)13-14-15)10-5-4-7-16-10/h10H,2-8,12H2,1H3.
What are the key properties of [1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine?
[1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine has a molecular weight of 224.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 82205498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).