1-(4-propan-2-yloxyphenyl)-5-propyltriazol-4-amine

C14H20N4O — CID 79501518

IUPAC1-(4-propan-2-yloxyphenyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H20N4O/c1-4-5-13-14(15)16-17-18(13)11-6-8-12(9-7-11)19-10(2)3/h6-10H,4-5,15H2,1-3H3
InChIKeyPDEQYSRVNBAHFQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.59
Rot. Bonds5

About 1-(4-propan-2-yloxyphenyl)-5-propyltriazol-4-amine

1-(4-propan-2-yloxyphenyl)-5-propyltriazol-4-amine (PubChem CID 79501518) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-5-propyltriazol-4-amine.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-5-propyltriazol-4-amine
PubChem CID79501518
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(4-propan-2-yloxyphenyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H20N4O/c1-4-5-13-14(15)16-17-18(13)11-6-8-12(9-7-11)19-10(2)3/h6-10H,4-5,15H2,1-3H3
InChIKeyPDEQYSRVNBAHFQ-UHFFFAOYSA-N
XLogP2.59
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-5-propyltriazol-4-amine?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-5-propyltriazol-4-amine (CID 79501518) is 1-(4-propan-2-yloxyphenyl)-5-propyltriazol-4-amine.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-5-propyltriazol-4-amine?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-5-propyltriazol-4-amine is CCCc1c(N)nnn1-c1ccc(OC(C)C)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-5-propyltriazol-4-amine?
The InChIKey is PDEQYSRVNBAHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-5-13-14(15)16-17-18(13)11-6-8-12(9-7-11)19-10(2)3/h6-10H,4-5,15H2,1-3H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)-5-propyltriazol-4-amine?
1-(4-propan-2-yloxyphenyl)-5-propyltriazol-4-amine has a molecular weight of 260.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-5-propyltriazol-4-amine is sourced from PubChem (CID 79501518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).