N-(1-benzylpiperidin-4-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine

C23H26N6 — CID 22519498

IUPACN-(1-benzylpiperidin-4-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESCCn1c2ccccc2c2nnc(NC3CCN(Cc4ccccc4)CC3)nc21
InChIInChI=1S/C23H26N6/c1-2-29-20-11-7-6-10-19(20)21-22(29)25-23(27-26-21)24-18-12-14-28(15-13-18)16-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,24,25,27)
InChIKeyVJAYUUJEYWXOBQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.08
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine

N-(1-benzylpiperidin-4-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine (PubChem CID 22519498) has the molecular formula C23H26N6 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine
PubChem CID22519498
Molecular FormulaC23H26N6
Molecular Weight386.50 g/mol
Exact Mass386.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESCCn1c2ccccc2c2nnc(NC3CCN(Cc4ccccc4)CC3)nc21
InChIInChI=1S/C23H26N6/c1-2-29-20-11-7-6-10-19(20)21-22(29)25-23(27-26-21)24-18-12-14-28(15-13-18)16-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,24,25,27)
InChIKeyVJAYUUJEYWXOBQ-UHFFFAOYSA-N
XLogP4.08
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpiperidin-4-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine with MolForge

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Related Compounds

2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 113258961
3-benzylsulfanyl-5-ethyl-[1,2,4]triazino[5,6-b]indole
CID 5308853
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
3-(1-benzylpiperidin-4-yl)-1-ethylindazole
CID 67627191
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
2-N-(1-benzylpiperidin-4-yl)-9-phenyl-6-N-propylpurine-2,6-diamine
CID 117079494
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
N-(1-benzylpiperidin-4-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648132
N-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 167810243
4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 117092145
2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine
CID 117091774
5-benzyl-N-[[4-(dimethylamino)phenyl]methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6832373

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine (CID 22519498) is N-(1-benzylpiperidin-4-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine is CCn1c2ccccc2c2nnc(NC3CCN(Cc4ccccc4)CC3)nc21.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine?
The InChIKey is VJAYUUJEYWXOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6/c1-2-29-20-11-7-6-10-19(20)21-22(29)25-23(27-26-21)24-18-12-14-28(15-13-18)16-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,24,25,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine?
N-(1-benzylpiperidin-4-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine has a molecular weight of 386.50 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indol-3-amine is sourced from PubChem (CID 22519498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).