N-(cyclohexylmethyl)-2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C25H27N5 — CID 118124021

IUPACN-(cyclohexylmethyl)-2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cncc(-c2nc(NCC3CCCCC3)c3c(-c4ccccc4)ccn3n2)c1
InChIInChI=1S/C25H27N5/c1-18-14-21(17-26-15-18)24-28-25(27-16-19-8-4-2-5-9-19)23-22(12-13-30(23)29-24)20-10-6-3-7-11-20/h3,6-7,10-15,17,19H,2,4-5,8-9,16H2,1H3,(H,27,28,29)
InChIKeyLOQXIWXOOZHFFW-UHFFFAOYSA-N
MW397.53 g/mol
LogP5.76
Rot. Bonds5

About N-(cyclohexylmethyl)-2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(cyclohexylmethyl)-2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 118124021) has the molecular formula C25H27N5 and a molecular weight of 397.53 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID118124021
Molecular FormulaC25H27N5
Molecular Weight397.53 g/mol
Exact Mass397.23
IUPAC NameN-(cyclohexylmethyl)-2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cncc(-c2nc(NCC3CCCCC3)c3c(-c4ccccc4)ccn3n2)c1
InChIInChI=1S/C25H27N5/c1-18-14-21(17-26-15-18)24-28-25(27-16-19-8-4-2-5-9-19)23-22(12-13-30(23)29-24)20-10-6-3-7-11-20/h3,6-7,10-15,17,19H,2,4-5,8-9,16H2,1H3,(H,27,28,29)
InChIKeyLOQXIWXOOZHFFW-UHFFFAOYSA-N
XLogP5.76
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.53
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(cyclohexylmethyl)-2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(cyclohexylmethyl)-2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 118124021) is N-(cyclohexylmethyl)-2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(cyclohexylmethyl)-2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1cncc(-c2nc(NCC3CCCCC3)c3c(-c4ccccc4)ccn3n2)c1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is LOQXIWXOOZHFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5/c1-18-14-21(17-26-15-18)24-28-25(27-16-19-8-4-2-5-9-19)23-22(12-13-30(23)29-24)20-10-6-3-7-11-20/h3,6-7,10-15,17,19H,2,4-5,8-9,16H2,1H3,(H,27,28,29).
What are the key properties of N-(cyclohexylmethyl)-2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(cyclohexylmethyl)-2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 397.53 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 118124021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).