N-cyclopentyl-3-(4-methoxyphenyl)-6-methyl-1,2,4-triazin-5-amine

C16H20N4O — CID 53156043

IUPACN-cyclopentyl-3-(4-methoxyphenyl)-6-methyl-1,2,4-triazin-5-amine
SMILESCOc1ccc(-c2nnc(C)c(NC3CCCC3)n2)cc1
InChIInChI=1S/C16H20N4O/c1-11-15(17-13-5-3-4-6-13)18-16(20-19-11)12-7-9-14(21-2)10-8-12/h7-10,13H,3-6H2,1-2H3,(H,17,18,20)
InChIKeyBDEYGKLQQONXPM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.21
Rot. Bonds4

About N-cyclopentyl-3-(4-methoxyphenyl)-6-methyl-1,2,4-triazin-5-amine

N-cyclopentyl-3-(4-methoxyphenyl)-6-methyl-1,2,4-triazin-5-amine (PubChem CID 53156043) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-cyclopentyl-3-(4-methoxyphenyl)-6-methyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-(4-methoxyphenyl)-6-methyl-1,2,4-triazin-5-amine
PubChem CID53156043
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-cyclopentyl-3-(4-methoxyphenyl)-6-methyl-1,2,4-triazin-5-amine
SMILESCOc1ccc(-c2nnc(C)c(NC3CCCC3)n2)cc1
InChIInChI=1S/C16H20N4O/c1-11-15(17-13-5-3-4-6-13)18-16(20-19-11)12-7-9-14(21-2)10-8-12/h7-10,13H,3-6H2,1-2H3,(H,17,18,20)
InChIKeyBDEYGKLQQONXPM-UHFFFAOYSA-N
XLogP3.21
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(4-methoxyphenyl)-6-methyl-1,2,4-triazin-5-amine?
The IUPAC name of N-cyclopentyl-3-(4-methoxyphenyl)-6-methyl-1,2,4-triazin-5-amine (CID 53156043) is N-cyclopentyl-3-(4-methoxyphenyl)-6-methyl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-cyclopentyl-3-(4-methoxyphenyl)-6-methyl-1,2,4-triazin-5-amine?
The canonical SMILES for N-cyclopentyl-3-(4-methoxyphenyl)-6-methyl-1,2,4-triazin-5-amine is COc1ccc(-c2nnc(C)c(NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-3-(4-methoxyphenyl)-6-methyl-1,2,4-triazin-5-amine?
The InChIKey is BDEYGKLQQONXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-15(17-13-5-3-4-6-13)18-16(20-19-11)12-7-9-14(21-2)10-8-12/h7-10,13H,3-6H2,1-2H3,(H,17,18,20).
What are the key properties of N-cyclopentyl-3-(4-methoxyphenyl)-6-methyl-1,2,4-triazin-5-amine?
N-cyclopentyl-3-(4-methoxyphenyl)-6-methyl-1,2,4-triazin-5-amine has a molecular weight of 284.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(4-methoxyphenyl)-6-methyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 53156043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).