2-[4-(aminomethyl)-5-(2-methylpropyl)triazol-1-yl]acetonitrile

C9H15N5 — CID 82206632

IUPAC2-[4-(aminomethyl)-5-(2-methylpropyl)triazol-1-yl]acetonitrile
SMILESCC(C)Cc1c(CN)nnn1CC#N
InChIInChI=1S/C9H15N5/c1-7(2)5-9-8(6-11)12-13-14(9)4-3-10/h7H,4-6,11H2,1-2H3
InChIKeySALUNJNBHXBDHK-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.46
Rot. Bonds4

About 2-[4-(aminomethyl)-5-(2-methylpropyl)triazol-1-yl]acetonitrile

2-[4-(aminomethyl)-5-(2-methylpropyl)triazol-1-yl]acetonitrile (PubChem CID 82206632) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-5-(2-methylpropyl)triazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(aminomethyl)-5-(2-methylpropyl)triazol-1-yl]acetonitrile
PubChem CID82206632
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name2-[4-(aminomethyl)-5-(2-methylpropyl)triazol-1-yl]acetonitrile
SMILESCC(C)Cc1c(CN)nnn1CC#N
InChIInChI=1S/C9H15N5/c1-7(2)5-9-8(6-11)12-13-14(9)4-3-10/h7H,4-6,11H2,1-2H3
InChIKeySALUNJNBHXBDHK-UHFFFAOYSA-N
XLogP0.46
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 82211136
2-[4-(aminomethyl)-5-[(4-methoxyphenyl)methyl]triazol-1-yl]acetonitrile
CID 82206661
[1-[(3,4-dichlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanamine
CID 94943700
2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]acetonitrile
CID 82206639
[5-(2-methylpropyl)-1-(4-phenoxybutyl)triazol-4-yl]methanamine
CID 82209707
2-[4-(hydroxymethyl)-5-propyltriazol-1-yl]acetonitrile
CID 82206393
[5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82220922
1-butyl-5-(2-methylpropyl)-4-propyltriazole
CID 69382483
3-[4-(aminomethyl)-5-ethyltriazol-1-yl]propane-1,2-diol
CID 82210341
2-(5-propan-2-yltetrazol-1-yl)acetonitrile
CID 84759144
(1-propan-2-yl-5-propyltriazol-4-yl)methanamine
CID 82207030
[5-(2-methylpropyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazol-4-yl]methanamine
CID 82221732

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-5-(2-methylpropyl)triazol-1-yl]acetonitrile?
The IUPAC name of 2-[4-(aminomethyl)-5-(2-methylpropyl)triazol-1-yl]acetonitrile (CID 82206632) is 2-[4-(aminomethyl)-5-(2-methylpropyl)triazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(aminomethyl)-5-(2-methylpropyl)triazol-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(aminomethyl)-5-(2-methylpropyl)triazol-1-yl]acetonitrile is CC(C)Cc1c(CN)nnn1CC#N.
What is the InChIKey of 2-[4-(aminomethyl)-5-(2-methylpropyl)triazol-1-yl]acetonitrile?
The InChIKey is SALUNJNBHXBDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-7(2)5-9-8(6-11)12-13-14(9)4-3-10/h7H,4-6,11H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)-5-(2-methylpropyl)triazol-1-yl]acetonitrile?
2-[4-(aminomethyl)-5-(2-methylpropyl)triazol-1-yl]acetonitrile has a molecular weight of 193.25 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-5-(2-methylpropyl)triazol-1-yl]acetonitrile is sourced from PubChem (CID 82206632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).