4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide

C14H17N5O — CID 123851752

IUPAC4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide
SMILESNC(=O)c1nnc2[nH]ccc2c1N[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C14H17N5O/c15-13(20)12-11(9-3-4-16-14(9)19-18-12)17-10-6-7-1-2-8(10)5-7/h3-4,7-8,10H,1-2,5-6H2,(H2,15,20)(H2,16,17,19)/t7-,8-,10-/m1/s1
InChIKeyOKOBSLUBYWDLEU-NQMVMOMDSA-N
MW271.32 g/mol
LogP1.66
Rot. Bonds3

About 4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide

4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide (PubChem CID 123851752) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide
PubChem CID123851752
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide
SMILESNC(=O)c1nnc2[nH]ccc2c1N[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C14H17N5O/c15-13(20)12-11(9-3-4-16-14(9)19-18-12)17-10-6-7-1-2-8(10)5-7/h3-4,7-8,10H,1-2,5-6H2,(H2,15,20)(H2,16,17,19)/t7-,8-,10-/m1/s1
InChIKeyOKOBSLUBYWDLEU-NQMVMOMDSA-N
XLogP1.66
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide?
The IUPAC name of 4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide (CID 123851752) is 4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide?
The canonical SMILES for 4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide is NC(=O)c1nnc2[nH]ccc2c1N[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of 4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide?
The InChIKey is OKOBSLUBYWDLEU-NQMVMOMDSA-N. The full InChI is InChI=1S/C14H17N5O/c15-13(20)12-11(9-3-4-16-14(9)19-18-12)17-10-6-7-1-2-8(10)5-7/h3-4,7-8,10H,1-2,5-6H2,(H2,15,20)(H2,16,17,19)/t7-,8-,10-/m1/s1.
What are the key properties of 4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide?
4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-7H-pyrrolo[2,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 123851752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).