N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzoxazol-2-amine

C13H17N5O — CID 942671

IUPACN-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzoxazol-2-amine
SMILESCCCN1CN=C(Nc2nc3ccccc3o2)NC1
InChIInChI=1S/C13H17N5O/c1-2-7-18-8-14-12(15-9-18)17-13-16-10-5-3-4-6-11(10)19-13/h3-6H,2,7-9H2,1H3,(H2,14,15,16,17)
InChIKeyDTBLQALZPPHQDX-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.83
Rot. Bonds3

About N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzoxazol-2-amine

N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzoxazol-2-amine (PubChem CID 942671) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzoxazol-2-amine
PubChem CID942671
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzoxazol-2-amine
SMILESCCCN1CN=C(Nc2nc3ccccc3o2)NC1
InChIInChI=1S/C13H17N5O/c1-2-7-18-8-14-12(15-9-18)17-13-16-10-5-3-4-6-11(10)19-13/h3-6H,2,7-9H2,1H3,(H2,14,15,16,17)
InChIKeyDTBLQALZPPHQDX-UHFFFAOYSA-N
XLogP1.83
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzoxazol-2-amine (CID 942671) is N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzoxazol-2-amine is CCCN1CN=C(Nc2nc3ccccc3o2)NC1.
What is the InChIKey of N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzoxazol-2-amine?
The InChIKey is DTBLQALZPPHQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-7-18-8-14-12(15-9-18)17-13-16-10-5-3-4-6-11(10)19-13/h3-6H,2,7-9H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzoxazol-2-amine?
N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzoxazol-2-amine has a molecular weight of 259.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 942671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).