4-chloro-N-methyl-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-5-amine

C14H16ClN9 — CID 133464425

IUPAC4-chloro-N-methyl-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-5-amine
SMILESCNc1c(Cl)ncnc1N1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C14H16ClN9/c1-16-12-13(15)17-8-18-14(12)23-6-4-22(5-7-23)11-3-2-10-20-19-9-24(10)21-11/h2-3,8-9,16H,4-7H2,1H3
InChIKeyIOWXBTDTMAKYHQ-UHFFFAOYSA-N
MW345.80 g/mol
LogP0.94
Rot. Bonds3

About 4-chloro-N-methyl-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-5-amine

4-chloro-N-methyl-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-5-amine (PubChem CID 133464425) has the molecular formula C14H16ClN9 and a molecular weight of 345.80 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-5-amine
PubChem CID133464425
Molecular FormulaC14H16ClN9
Molecular Weight345.80 g/mol
Exact Mass345.12
IUPAC Name4-chloro-N-methyl-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-5-amine
SMILESCNc1c(Cl)ncnc1N1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C14H16ClN9/c1-16-12-13(15)17-8-18-14(12)23-6-4-22(5-7-23)11-3-2-10-20-19-9-24(10)21-11/h2-3,8-9,16H,4-7H2,1H3
InChIKeyIOWXBTDTMAKYHQ-UHFFFAOYSA-N
XLogP0.94
TPSA87.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.80
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 171702464
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 139023196
6-[4-[5-(methylsulfanylmethyl)-2-pyridinyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 154768884
4-chloro-N-methyl-6-[4-(oxan-4-yloxy)piperidin-1-yl]pyrimidin-5-amine
CID 133464624
6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrido[2,3-b]pyrazine
CID 133281306
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 163352969
4-N,4-N-dimethyl-6-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888461
2-[4-[6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
CID 165434332
(2R)-N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide
CID 95332454
6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133281338
1-[4-[6-chloro-5-(methylamino)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-2-ol
CID 133464451
(4-amino-5-chloro-2-methoxyphenyl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
CID 119879800

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-5-amine?
The IUPAC name of 4-chloro-N-methyl-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-5-amine (CID 133464425) is 4-chloro-N-methyl-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-5-amine?
The canonical SMILES for 4-chloro-N-methyl-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-5-amine is CNc1c(Cl)ncnc1N1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of 4-chloro-N-methyl-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-5-amine?
The InChIKey is IOWXBTDTMAKYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN9/c1-16-12-13(15)17-8-18-14(12)23-6-4-22(5-7-23)11-3-2-10-20-19-9-24(10)21-11/h2-3,8-9,16H,4-7H2,1H3.
What are the key properties of 4-chloro-N-methyl-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-5-amine?
4-chloro-N-methyl-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-5-amine has a molecular weight of 345.80 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-5-amine is sourced from PubChem (CID 133464425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).