N,N-bis[(3,4-dimethoxyphenyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine

C28H35N5O5 — CID 165153518

IUPACN,N-bis[(3,4-dimethoxyphenyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCC(C)Oc1nc(N(Cc2ccc(OC)c(OC)c2)Cc2ccc(OC)c(OC)c2)c2nccn2n1
InChIInChI=1S/C28H35N5O5/c1-7-8-19(2)38-28-30-27(26-29-13-14-33(26)31-28)32(17-20-9-11-22(34-3)24(15-20)36-5)18-21-10-12-23(35-4)25(16-21)37-6/h9-16,19H,7-8,17-18H2,1-6H3
InChIKeyZIRONLCJPIOTAG-UHFFFAOYSA-N
MW521.62 g/mol
LogP4.93
Rot. Bonds13

About N,N-bis[(3,4-dimethoxyphenyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine

N,N-bis[(3,4-dimethoxyphenyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 165153518) has the molecular formula C28H35N5O5 and a molecular weight of 521.62 g/mol. Its IUPAC name is N,N-bis[(3,4-dimethoxyphenyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN,N-bis[(3,4-dimethoxyphenyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID165153518
Molecular FormulaC28H35N5O5
Molecular Weight521.62 g/mol
Exact Mass521.26
IUPAC NameN,N-bis[(3,4-dimethoxyphenyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCC(C)Oc1nc(N(Cc2ccc(OC)c(OC)c2)Cc2ccc(OC)c(OC)c2)c2nccn2n1
InChIInChI=1S/C28H35N5O5/c1-7-8-19(2)38-28-30-27(26-29-13-14-33(26)31-28)32(17-20-9-11-22(34-3)24(15-20)36-5)18-21-10-12-23(35-4)25(16-21)37-6/h9-16,19H,7-8,17-18H2,1-6H3
InChIKeyZIRONLCJPIOTAG-UHFFFAOYSA-N
XLogP4.93
TPSA92.47 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.62
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 155777750
4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene
CID 107896132
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine
CID 133423616
2,6-dichloro-4-N,4-N,8-N,8-N-tetrakis[(3,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 11457132
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107890983
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine
CID 133383927
tert-butyl N-[2-[4-[[4-[bis[(3,4-dimethoxyphenyl)methyl]amino]-2-[(3R)-1-phenylmethoxyhexan-3-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]-hydroxymethyl]-3-fluorophenoxy]ethyl]-N-methylcarbamate
CID 175731083
N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890766
N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-pentan-2-ylbutanamide
CID 71107521
tert-butyl 4-[5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl]-hydroxymethyl]-3-methyl-2-pyridinyl]piperazine-1-carboxylate
CID 157021672
N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide
CID 8801363
4-(3-chlorohexyl)-1,2-dimethoxybenzene
CID 64513550

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(3,4-dimethoxyphenyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N,N-bis[(3,4-dimethoxyphenyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine (CID 165153518) is N,N-bis[(3,4-dimethoxyphenyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N,N-bis[(3,4-dimethoxyphenyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N,N-bis[(3,4-dimethoxyphenyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine is CCCC(C)Oc1nc(N(Cc2ccc(OC)c(OC)c2)Cc2ccc(OC)c(OC)c2)c2nccn2n1.
What is the InChIKey of N,N-bis[(3,4-dimethoxyphenyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is ZIRONLCJPIOTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O5/c1-7-8-19(2)38-28-30-27(26-29-13-14-33(26)31-28)32(17-20-9-11-22(34-3)24(15-20)36-5)18-21-10-12-23(35-4)25(16-21)37-6/h9-16,19H,7-8,17-18H2,1-6H3.
What are the key properties of N,N-bis[(3,4-dimethoxyphenyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine?
N,N-bis[(3,4-dimethoxyphenyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 521.62 g/mol, XLogP of 4.93, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(3,4-dimethoxyphenyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 165153518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).