3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile

C10H14N4 — CID 80509239

IUPAC3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile
SMILESCC(C)C(C)Nc1nnccc1C#N
InChIInChI=1S/C10H14N4/c1-7(2)8(3)13-10-9(6-11)4-5-12-14-10/h4-5,7-8H,1-3H3,(H,13,14)
InChIKeyFCKMNLLNMSLYNB-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.80
Rot. Bonds3

About 3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile

3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile (PubChem CID 80509239) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile
PubChem CID80509239
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile
SMILESCC(C)C(C)Nc1nnccc1C#N
InChIInChI=1S/C10H14N4/c1-7(2)8(3)13-10-9(6-11)4-5-12-14-10/h4-5,7-8H,1-3H3,(H,13,14)
InChIKeyFCKMNLLNMSLYNB-UHFFFAOYSA-N
XLogP1.80
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Methylamino)pyridazine-4-carbonitrile
CID 46848635
N1-(pyridazin-3-yl)ethane-1,2-diamine
CID 22118660
N-Cyclopropylpyridazin-3-amine
CID 62482225
3-[Methyl(prop-2-yn-1-yl)amino]pyridazine-4-carbonitrile
CID 81797982
N-ethylpyridazin-3-amine
CID 12446652
3-Butylaminopyridazine
CID 62483243
N-propan-2-yl-5-(trifluoromethyl)pyridazin-3-amine
CID 167420830
4-(aminomethyl)-N-methylpyridazin-3-amine
CID 46848806
4-(aminomethyl)-N-ethylpyridazin-3-amine
CID 46848808
4-(aminomethyl)-N-propylpyridazin-3-amine
CID 46848810
4-(aminomethyl)-N-butylpyridazin-3-amine
CID 46848812
4-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 80508750

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile (CID 80509239) is 3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile is CC(C)C(C)Nc1nnccc1C#N.
What is the InChIKey of 3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile?
The InChIKey is FCKMNLLNMSLYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-7(2)8(3)13-10-9(6-11)4-5-12-14-10/h4-5,7-8H,1-3H3,(H,13,14).
What are the key properties of 3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile?
3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80509239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).