2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine

C28H35N5O3 — CID 155777750

IUPAC2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCC(CCC)Oc1nc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)c2nccn2n1
InChIInChI=1S/C28H35N5O3/c1-5-7-25(8-6-2)36-28-30-27(26-29-17-18-33(26)31-28)32(19-21-9-13-23(34-3)14-10-21)20-22-11-15-24(35-4)16-12-22/h9-18,25H,5-8,19-20H2,1-4H3
InChIKeyNBAFGQWZQYKNMF-UHFFFAOYSA-N
MW489.62 g/mol
LogP5.70
Rot. Bonds13

About 2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine

2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 155777750) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID155777750
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC Name2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCC(CCC)Oc1nc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)c2nccn2n1
InChIInChI=1S/C28H35N5O3/c1-5-7-25(8-6-2)36-28-30-27(26-29-17-18-33(26)31-28)32(19-21-9-13-23(34-3)14-10-21)20-22-11-15-24(35-4)16-12-22/h9-18,25H,5-8,19-20H2,1-4H3
InChIKeyNBAFGQWZQYKNMF-UHFFFAOYSA-N
XLogP5.70
TPSA74.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-bis[(3,4-dimethoxyphenyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
CID 165153518
tert-butyl 4-[(4-amino-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;bis(2-heptan-4-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine)
CID 167674792
7-bromo-2-butoxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 155777682
7-bromo-N,N-bis[(4-methoxyphenyl)methyl]-2-(2-methylpropoxy)imidazo[2,1-f][1,2,4]triazin-4-amine
CID 157021961
2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 141386417
6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 79953825
tert-butyl 4-[[4-[bis[(4-methoxyphenyl)methyl]amino]-2-pentan-3-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl]-hydroxymethyl]piperidine-1-carboxylate
CID 155777737
4-N-heptan-4-yl-2-N,2-N-bis[(4-methoxyphenyl)methyl]pyridine-2,4-diamine
CID 175904266
2-chloro-N,N-dipropylimidazo[2,1-f][1,2,4]triazin-4-amine
CID 164738990
tert-butyl N-[2-[[5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-2-pentan-3-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl]-hydroxymethyl]-2-pyridinyl]oxy]ethyl]-N-methylcarbamate
CID 157021927
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(tetrazolo[1,5-a]pyrazin-8-yl)ethane-1,2-diamine
CID 167838716
[4-[bis[(4-methoxyphenyl)methyl]amino]-2-butoxy-6-(hydroxymethyl)pyrimidin-5-yl]carbamic acid
CID 174231975

Frequently Asked Questions

What is the IUPAC name of 2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine (CID 155777750) is 2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine is CCCC(CCC)Oc1nc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)c2nccn2n1.
What is the InChIKey of 2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is NBAFGQWZQYKNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-5-7-25(8-6-2)36-28-30-27(26-29-17-18-33(26)31-28)32(19-21-9-13-23(34-3)14-10-21)20-22-11-15-24(35-4)16-12-22/h9-18,25H,5-8,19-20H2,1-4H3.
What are the key properties of 2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?
2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 489.62 g/mol, XLogP of 5.70, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 155777750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).