4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile

C11H19N5 — CID 103884381

IUPAC4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile
SMILESCn1cnc(CNCC(C)(C)CCC#N)n1
InChIInChI=1S/C11H19N5/c1-11(2,5-4-6-12)8-13-7-10-14-9-16(3)15-10/h9,13H,4-5,7-8H2,1-3H3
InChIKeyKRIVFCAZIDHBKW-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.23
Rot. Bonds6

About 4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile

4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile (PubChem CID 103884381) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile.

Molecular Properties

Compound Name4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile
PubChem CID103884381
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile
SMILESCn1cnc(CNCC(C)(C)CCC#N)n1
InChIInChI=1S/C11H19N5/c1-11(2,5-4-6-12)8-13-7-10-14-9-16(3)15-10/h9,13H,4-5,7-8H2,1-3H3
InChIKeyKRIVFCAZIDHBKW-UHFFFAOYSA-N
XLogP1.23
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-dimethyl-5-(2H-tetrazol-5-ylmethylamino)pentanenitrile
CID 115698081
4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile
CID 115653083
3,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 102672727
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404
5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentanenitrile
CID 103698578
5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile
CID 115751673
2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 59539259
5-[(6-methoxy-3-pyridinyl)methylamino]-4,4-dimethylpentanenitrile
CID 115651922
4,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanenitrile
CID 115652749
4,4-dimethyl-5-[(1-methylpyrazol-4-yl)amino]pentanenitrile
CID 115653208
2-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzonitrile
CID 103884452
4,4-dimethyl-5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile
CID 115652255

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile?
The IUPAC name of 4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile (CID 103884381) is 4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile.
What is the SMILES notation for 4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile?
The canonical SMILES for 4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile is Cn1cnc(CNCC(C)(C)CCC#N)n1.
What is the InChIKey of 4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile?
The InChIKey is KRIVFCAZIDHBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-11(2,5-4-6-12)8-13-7-10-14-9-16(3)15-10/h9,13H,4-5,7-8H2,1-3H3.
What are the key properties of 4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile?
4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile has a molecular weight of 221.31 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile is sourced from PubChem (CID 103884381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).