N-(1H-indol-3-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine

C18H19N7 — CID 126920306

IUPACN-(1H-indol-3-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine
SMILESc1ccc2c(CNCC3CN(c4ccc5nncn5n4)C3)c[nH]c2c1
InChIInChI=1S/C18H19N7/c1-2-4-16-15(3-1)14(9-20-16)8-19-7-13-10-24(11-13)18-6-5-17-22-21-12-25(17)23-18/h1-6,9,12-13,19-20H,7-8,10-11H2
InChIKeyNXUFVNWPQIOJAK-UHFFFAOYSA-N
MW333.40 g/mol
LogP1.83
Rot. Bonds5

About N-(1H-indol-3-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine

N-(1H-indol-3-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine (PubChem CID 126920306) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine
PubChem CID126920306
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC NameN-(1H-indol-3-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine
SMILESc1ccc2c(CNCC3CN(c4ccc5nncn5n4)C3)c[nH]c2c1
InChIInChI=1S/C18H19N7/c1-2-4-16-15(3-1)14(9-20-16)8-19-7-13-10-24(11-13)18-6-5-17-22-21-12-25(17)23-18/h1-6,9,12-13,19-20H,7-8,10-11H2
InChIKeyNXUFVNWPQIOJAK-UHFFFAOYSA-N
XLogP1.83
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(quinolin-4-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine
CID 126920305
N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide
CID 119105652
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415
N-[2-(1H-indol-3-yl)-2-phenylethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 42951611
6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 172880430
1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(quinolin-4-ylmethyl)methanamine
CID 126922517
2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide
CID 126919251
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-(1H-indol-3-yl)acetamide
CID 126918501
(1H-indol-3-ylmethylamino)methanol
CID 115228988
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 126920249
N-(1H-indol-4-ylmethyl)-1-(1-phenylpyrrolidin-3-yl)methanamine
CID 119110013
2-(1,2-benzoxazol-3-yl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide
CID 126920427

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine?
The IUPAC name of N-(1H-indol-3-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine (CID 126920306) is N-(1H-indol-3-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine is c1ccc2c(CNCC3CN(c4ccc5nncn5n4)C3)c[nH]c2c1.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine?
The InChIKey is NXUFVNWPQIOJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-2-4-16-15(3-1)14(9-20-16)8-19-7-13-10-24(11-13)18-6-5-17-22-21-12-25(17)23-18/h1-6,9,12-13,19-20H,7-8,10-11H2.
What are the key properties of N-(1H-indol-3-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine?
N-(1H-indol-3-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine has a molecular weight of 333.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine is sourced from PubChem (CID 126920306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).