4-[[(1S,2R)-2-methylcyclohexyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide

C14H19N5O — CID 67965197

IUPAC4-[[(1S,2R)-2-methylcyclohexyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1Nc1c(C(N)=O)nnc2[nH]ccc12
InChIInChI=1S/C14H19N5O/c1-8-4-2-3-5-10(8)17-11-9-6-7-16-14(9)19-18-12(11)13(15)20/h6-8,10H,2-5H2,1H3,(H2,15,20)(H2,16,17,19)/t8-,10+/m1/s1
InChIKeyFXRHOZHMKVNRAX-SCZZXKLOSA-N
MW273.34 g/mol
LogP2.05
Rot. Bonds3

About 4-[[(1S,2R)-2-methylcyclohexyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide

4-[[(1S,2R)-2-methylcyclohexyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide (PubChem CID 67965197) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[[(1S,2R)-2-methylcyclohexyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[[(1S,2R)-2-methylcyclohexyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide
PubChem CID67965197
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-[[(1S,2R)-2-methylcyclohexyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1Nc1c(C(N)=O)nnc2[nH]ccc12
InChIInChI=1S/C14H19N5O/c1-8-4-2-3-5-10(8)17-11-9-6-7-16-14(9)19-18-12(11)13(15)20/h6-8,10H,2-5H2,1H3,(H2,15,20)(H2,16,17,19)/t8-,10+/m1/s1
InChIKeyFXRHOZHMKVNRAX-SCZZXKLOSA-N
XLogP2.05
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2R)-2-methylcyclohexyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide?
The IUPAC name of 4-[[(1S,2R)-2-methylcyclohexyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide (CID 67965197) is 4-[[(1S,2R)-2-methylcyclohexyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[[(1S,2R)-2-methylcyclohexyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide?
The canonical SMILES for 4-[[(1S,2R)-2-methylcyclohexyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide is C[C@@H]1CCCC[C@@H]1Nc1c(C(N)=O)nnc2[nH]ccc12.
What is the InChIKey of 4-[[(1S,2R)-2-methylcyclohexyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide?
The InChIKey is FXRHOZHMKVNRAX-SCZZXKLOSA-N. The full InChI is InChI=1S/C14H19N5O/c1-8-4-2-3-5-10(8)17-11-9-6-7-16-14(9)19-18-12(11)13(15)20/h6-8,10H,2-5H2,1H3,(H2,15,20)(H2,16,17,19)/t8-,10+/m1/s1.
What are the key properties of 4-[[(1S,2R)-2-methylcyclohexyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide?
4-[[(1S,2R)-2-methylcyclohexyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2R)-2-methylcyclohexyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 67965197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).