3-chloro-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine

C9H10ClN5 — CID 90037538

IUPAC3-chloro-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine
SMILESCC(C)Nc1nc2cnncc2nc1Cl
InChIInChI=1S/C9H10ClN5/c1-5(2)13-9-8(10)14-6-3-11-12-4-7(6)15-9/h3-5H,1-2H3,(H,13,15)
InChIKeyDSMWTTWIWDTZGK-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.89
Rot. Bonds2

About 3-chloro-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine

3-chloro-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine (PubChem CID 90037538) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 3-chloro-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine
PubChem CID90037538
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name3-chloro-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine
SMILESCC(C)Nc1nc2cnncc2nc1Cl
InChIInChI=1S/C9H10ClN5/c1-5(2)13-9-8(10)14-6-3-11-12-4-7(6)15-9/h3-5H,1-2H3,(H,13,15)
InChIKeyDSMWTTWIWDTZGK-UHFFFAOYSA-N
XLogP1.89
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-(propan-2-ylamino)quinoxaline-6-carbonitrile
CID 90038423
2-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-4-amine;4-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-2-amine
CID 161092415
methyl N'-[3-amino-6-chloro-5-(propan-2-ylamino)pyrazin-2-yl]carbamimidothioate
CID 54029763
5-chloro-3-methyl-N-propan-2-ylpyridin-2-amine;ethane
CID 156849552
3-chloro-2-N-propan-2-ylpyridine-2,5-diamine
CID 82468511
5,6-dichloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine
CID 88769703
2,7-dichloro-N-propan-2-ylquinazolin-4-amine
CID 114693126
3,5-dichloro-N-propan-2-ylpyridin-4-amine
CID 23352265
5-chloro-3-fluoro-4-methyl-N-propan-2-ylpyridin-2-amine
CID 58542962
6-bromo-2-chloro-N-propan-2-ylquinazolin-4-amine
CID 114692800
2-[(3-chloroquinoxalin-2-yl)amino]-2-hydrazinylethanol
CID 123251767
6-benzyl-3-chloro-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine
CID 118159187

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine?
The IUPAC name of 3-chloro-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine (CID 90037538) is 3-chloro-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine.
What is the SMILES notation for 3-chloro-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine?
The canonical SMILES for 3-chloro-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine is CC(C)Nc1nc2cnncc2nc1Cl.
What is the InChIKey of 3-chloro-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine?
The InChIKey is DSMWTTWIWDTZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-5(2)13-9-8(10)14-6-3-11-12-4-7(6)15-9/h3-5H,1-2H3,(H,13,15).
What are the key properties of 3-chloro-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine?
3-chloro-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine has a molecular weight of 223.67 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine is sourced from PubChem (CID 90037538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).