3-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-4-carbonitrile

C11H15N5 — CID 102738669

IUPAC3-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C11H15N5/c12-7-8-5-6-14-16-11(8)15-10-4-2-1-3-9(10)13/h5-6,9-10H,1-4,13H2,(H,15,16)/t9-,10-/m1/s1
InChIKeyVOYFXLWWSMXRSQ-NXEZZACHSA-N
MW217.28 g/mol
LogP1.03
Rot. Bonds2

About 3-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-4-carbonitrile

3-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-4-carbonitrile (PubChem CID 102738669) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-4-carbonitrile
PubChem CID102738669
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C11H15N5/c12-7-8-5-6-14-16-11(8)15-10-4-2-1-3-9(10)13/h5-6,9-10H,1-4,13H2,(H,15,16)/t9-,10-/m1/s1
InChIKeyVOYFXLWWSMXRSQ-NXEZZACHSA-N
XLogP1.03
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methylcyclohexyl)amino]pyridazine-4-carbonitrile
CID 80509395
2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-dimethylpyridine-3-carbonitrile
CID 93453724
3-[[2-(hydroxymethyl)cyclohexyl]methylamino]pyridazine-4-carbonitrile
CID 80509988
3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]pyridazine-4-carbonitrile
CID 80515067
3-(azetidin-3-ylamino)pyridazine-4-carbonitrile
CID 80515096
2-amino-6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyanopyridine-3-carboxamide
CID 155563860
2-[[(1R,2R)-2-aminocyclohexyl]amino]-4-bromobenzonitrile
CID 102738833
3-(propan-2-ylamino)pyridazine-4-carbonitrile
CID 14042730
2-[(2-aminocyclopentyl)amino]quinoline-4-carbonitrile
CID 63886409
3-amino-2-[(2-hydroxycycloheptyl)amino]pyridine-4-carbonitrile
CID 113394617
3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80510609
4-[[(1S,2S)-2-aminocyclohexyl]amino]-2-(trifluoromethyl)benzonitrile
CID 93453587

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-4-carbonitrile (CID 102738669) is 3-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-4-carbonitrile is N#Cc1ccnnc1N[C@@H]1CCCC[C@H]1N.
What is the InChIKey of 3-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-4-carbonitrile?
The InChIKey is VOYFXLWWSMXRSQ-NXEZZACHSA-N. The full InChI is InChI=1S/C11H15N5/c12-7-8-5-6-14-16-11(8)15-10-4-2-1-3-9(10)13/h5-6,9-10H,1-4,13H2,(H,15,16)/t9-,10-/m1/s1.
What are the key properties of 3-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-4-carbonitrile?
3-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-4-carbonitrile has a molecular weight of 217.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 102738669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).