3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile

C10H17N5 — CID 106302966

IUPAC3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile
SMILESCCC(CC#N)NCc1nncn1CC
InChIInChI=1S/C10H17N5/c1-3-9(5-6-11)12-7-10-14-13-8-15(10)4-2/h8-9,12H,3-5,7H2,1-2H3
InChIKeyIOAVXXOLVRLGKJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.08
Rot. Bonds6

About 3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile

3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile (PubChem CID 106302966) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile.

Molecular Properties

Compound Name3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile
PubChem CID106302966
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile
SMILESCCC(CC#N)NCc1nncn1CC
InChIInChI=1S/C10H17N5/c1-3-9(5-6-11)12-7-10-14-13-8-15(10)4-2/h8-9,12H,3-5,7H2,1-2H3
InChIKeyIOAVXXOLVRLGKJ-UHFFFAOYSA-N
XLogP1.08
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 113260218
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 103777529
3-[(1-ethylbenzimidazol-2-yl)methylamino]pentanenitrile
CID 55101796
5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentanenitrile
CID 103698578
methyl 3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylbutanoate
CID 106302747
1-(4-chlorophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 103777663
1-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 115769824
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]octan-2-amine
CID 103777665
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine
CID 79256368
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 103777568
3-[(3-propan-2-ylimidazol-4-yl)methylamino]pentanenitrile
CID 66162579
3-[(1-ethylpyrrol-3-yl)methylamino]pentanenitrile
CID 66416364

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile?
The IUPAC name of 3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile (CID 106302966) is 3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile.
What is the SMILES notation for 3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile?
The canonical SMILES for 3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile is CCC(CC#N)NCc1nncn1CC.
What is the InChIKey of 3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile?
The InChIKey is IOAVXXOLVRLGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-3-9(5-6-11)12-7-10-14-13-8-15(10)4-2/h8-9,12H,3-5,7H2,1-2H3.
What are the key properties of 3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile?
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile has a molecular weight of 207.28 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile is sourced from PubChem (CID 106302966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).