4-indazol-1-yl-2-(methylamino)butanenitrile

C12H14N4 — CID 63027200

IUPAC4-indazol-1-yl-2-(methylamino)butanenitrile
SMILESCNC(C#N)CCn1ncc2ccccc21
InChIInChI=1S/C12H14N4/c1-14-11(8-13)6-7-16-12-5-3-2-4-10(12)9-15-16/h2-5,9,11,14H,6-7H2,1H3
InChIKeyKPWVCAIBBYTGCA-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.54
Rot. Bonds4

About 4-indazol-1-yl-2-(methylamino)butanenitrile

4-indazol-1-yl-2-(methylamino)butanenitrile (PubChem CID 63027200) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-indazol-1-yl-2-(methylamino)butanenitrile.

Molecular Properties

Compound Name4-indazol-1-yl-2-(methylamino)butanenitrile
PubChem CID63027200
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name4-indazol-1-yl-2-(methylamino)butanenitrile
SMILESCNC(C#N)CCn1ncc2ccccc21
InChIInChI=1S/C12H14N4/c1-14-11(8-13)6-7-16-12-5-3-2-4-10(12)9-15-16/h2-5,9,11,14H,6-7H2,1H3
InChIKeyKPWVCAIBBYTGCA-UHFFFAOYSA-N
XLogP1.54
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-indazol-1-yl-2-(propan-2-ylamino)butanenitrile
CID 63027401
4-indazol-1-ylbutanenitrile
CID 62141494
1-amino-4-indazol-1-ylbutan-2-ol
CID 64820572
1-propylindazole
CID 18695497
4-indazol-1-yl-2-methylbutan-2-ol
CID 79360866
2-(ethylamino)-4-indazol-1-yl-2-methylbutanenitrile
CID 55040884
2-amino-5-indazol-1-yl-2-methylpentan-1-ol
CID 64811283
4-indazol-1-ylbutan-1-ol
CID 62142094
6-indazol-1-ylhexan-3-amine
CID 106800346
3-indazol-1-yl-2-(methylamino)-2-phenylpropan-1-ol
CID 64808771
methyl 2-(cyclopropylamino)-4-indazol-1-ylbutanoate
CID 63039954
3-indazol-1-ylpropanoic acid
CID 805922

Frequently Asked Questions

What is the IUPAC name of 4-indazol-1-yl-2-(methylamino)butanenitrile?
The IUPAC name of 4-indazol-1-yl-2-(methylamino)butanenitrile (CID 63027200) is 4-indazol-1-yl-2-(methylamino)butanenitrile.
What is the SMILES notation for 4-indazol-1-yl-2-(methylamino)butanenitrile?
The canonical SMILES for 4-indazol-1-yl-2-(methylamino)butanenitrile is CNC(C#N)CCn1ncc2ccccc21.
What is the InChIKey of 4-indazol-1-yl-2-(methylamino)butanenitrile?
The InChIKey is KPWVCAIBBYTGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-14-11(8-13)6-7-16-12-5-3-2-4-10(12)9-15-16/h2-5,9,11,14H,6-7H2,1H3.
What are the key properties of 4-indazol-1-yl-2-(methylamino)butanenitrile?
4-indazol-1-yl-2-(methylamino)butanenitrile has a molecular weight of 214.27 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indazol-1-yl-2-(methylamino)butanenitrile is sourced from PubChem (CID 63027200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).