N-(cyclopropylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine

C18H17N5 — CID 44631782

IUPACN-(cyclopropylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESc1ccc(-c2nnc(-c3ccccn3)nc2NCC2CC2)cc1
InChIInChI=1S/C18H17N5/c1-2-6-14(7-3-1)16-18(20-12-13-9-10-13)21-17(23-22-16)15-8-4-5-11-19-15/h1-8,11,13H,9-10,12H2,(H,20,21,23)
InChIKeyNHJUGLJJTBWNCN-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.42
Rot. Bonds5

About N-(cyclopropylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine

N-(cyclopropylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (PubChem CID 44631782) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
PubChem CID44631782
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC NameN-(cyclopropylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESc1ccc(-c2nnc(-c3ccccn3)nc2NCC2CC2)cc1
InChIInChI=1S/C18H17N5/c1-2-6-14(7-3-1)16-18(20-12-13-9-10-13)21-17(23-22-16)15-8-4-5-11-19-15/h1-8,11,13H,9-10,12H2,(H,20,21,23)
InChIKeyNHJUGLJJTBWNCN-UHFFFAOYSA-N
XLogP3.42
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-(cyclopropylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (CID 44631782) is N-(cyclopropylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-(cyclopropylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is c1ccc(-c2nnc(-c3ccccn3)nc2NCC2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The InChIKey is NHJUGLJJTBWNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-2-6-14(7-3-1)16-18(20-12-13-9-10-13)21-17(23-22-16)15-8-4-5-11-19-15/h1-8,11,13H,9-10,12H2,(H,20,21,23).
What are the key properties of N-(cyclopropylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
N-(cyclopropylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine has a molecular weight of 303.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 44631782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).