1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyltriazol-4-amine

C11H18N4 — CID 79550838

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1CC1CC2CCC1C2
InChIInChI=1S/C11H18N4/c1-7-11(12)13-14-15(7)6-10-5-8-2-3-9(10)4-8/h8-10H,2-6,12H2,1H3
InChIKeyTTYAVMDRNZRVPI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.60
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyltriazol-4-amine

1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyltriazol-4-amine (PubChem CID 79550838) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyltriazol-4-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyltriazol-4-amine
PubChem CID79550838
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1CC1CC2CCC1C2
InChIInChI=1S/C11H18N4/c1-7-11(12)13-14-15(7)6-10-5-8-2-3-9(10)4-8/h8-10H,2-6,12H2,1H3
InChIKeyTTYAVMDRNZRVPI-UHFFFAOYSA-N
XLogP1.60
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopropyltriazol-4-amine
CID 79549769
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine
CID 79552476
4-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-3-methylaniline
CID 63686295
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-5-methylpyrazole
CID 130496682
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-4-fluoroaniline
CID 63684284
6-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79284544
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 79550435
N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]methyl]propan-1-amine
CID 63686121
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 79550524
3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylimidazolidin-4-one
CID 83257279
N-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine
CID 79562921
3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-5-propylimidazolidin-4-one
CID 83256941

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyltriazol-4-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyltriazol-4-amine (CID 79550838) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyltriazol-4-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyltriazol-4-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyltriazol-4-amine is Cc1c(N)nnn1CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyltriazol-4-amine?
The InChIKey is TTYAVMDRNZRVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-7-11(12)13-14-15(7)6-10-5-8-2-3-9(10)4-8/h8-10H,2-6,12H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyltriazol-4-amine?
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyltriazol-4-amine has a molecular weight of 206.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyltriazol-4-amine is sourced from PubChem (CID 79550838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).