3-tert-butyl-N-[(2-propan-2-yloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C18H29N5O — CID 127922082

IUPAC3-tert-butyl-N-[(2-propan-2-yloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)C1OCCCC1CNc1ccc2nnc(C(C)(C)C)n2n1
InChIInChI=1S/C18H29N5O/c1-12(2)16-13(7-6-10-24-16)11-19-14-8-9-15-20-21-17(18(3,4)5)23(15)22-14/h8-9,12-13,16H,6-7,10-11H2,1-5H3,(H,19,22)
InChIKeyMWKZACLQKHEMBK-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.28
Rot. Bonds4

About 3-tert-butyl-N-[(2-propan-2-yloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-tert-butyl-N-[(2-propan-2-yloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 127922082) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-tert-butyl-N-[(2-propan-2-yloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-tert-butyl-N-[(2-propan-2-yloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID127922082
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name3-tert-butyl-N-[(2-propan-2-yloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)C1OCCCC1CNc1ccc2nnc(C(C)(C)C)n2n1
InChIInChI=1S/C18H29N5O/c1-12(2)16-13(7-6-10-24-16)11-19-14-8-9-15-20-21-17(18(3,4)5)23(15)22-14/h8-9,12-13,16H,6-7,10-11H2,1-5H3,(H,19,22)
InChIKeyMWKZACLQKHEMBK-UHFFFAOYSA-N
XLogP3.28
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-tert-butyl-N-[(2-propan-2-yloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-tert-butyl-N-[1-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489399
3-tert-butyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133487996
3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 47983521
N'-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 166237978
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 51931109
3-tert-butyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488471
6-tert-butyl-N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-amine
CID 126922492
N-[(2R)-2-morpholin-4-ylpropyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 32875134
3-tert-butyl-N-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488234
3-tert-butyl-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488187
3-tert-butyl-N-(2-methyl-2-pyridin-3-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 136547851
N-[2-[6-(oxolan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide
CID 43958037

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[(2-propan-2-yloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-tert-butyl-N-[(2-propan-2-yloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 127922082) is 3-tert-butyl-N-[(2-propan-2-yloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-tert-butyl-N-[(2-propan-2-yloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-tert-butyl-N-[(2-propan-2-yloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(C)C1OCCCC1CNc1ccc2nnc(C(C)(C)C)n2n1.
What is the InChIKey of 3-tert-butyl-N-[(2-propan-2-yloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is MWKZACLQKHEMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-12(2)16-13(7-6-10-24-16)11-19-14-8-9-15-20-21-17(18(3,4)5)23(15)22-14/h8-9,12-13,16H,6-7,10-11H2,1-5H3,(H,19,22).
What are the key properties of 3-tert-butyl-N-[(2-propan-2-yloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-tert-butyl-N-[(2-propan-2-yloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 331.46 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[(2-propan-2-yloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 127922082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).