1-(2-cyclopropylpropan-2-yl)-1,2,4-triazol-3-amine

C8H14N4 — CID 127011926

IUPAC1-(2-cyclopropylpropan-2-yl)-1,2,4-triazol-3-amine
SMILESCC(C)(C1CC1)n1cnc(N)n1
InChIInChI=1S/C8H14N4/c1-8(2,6-3-4-6)12-5-10-7(9)11-12/h5-6H,3-4H2,1-2H3,(H2,9,11)
InChIKeyJJBYCBMIHXXAJO-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.01
Rot. Bonds2

About 1-(2-cyclopropylpropan-2-yl)-1,2,4-triazol-3-amine

1-(2-cyclopropylpropan-2-yl)-1,2,4-triazol-3-amine (PubChem CID 127011926) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-(2-cyclopropylpropan-2-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(2-cyclopropylpropan-2-yl)-1,2,4-triazol-3-amine
PubChem CID127011926
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-(2-cyclopropylpropan-2-yl)-1,2,4-triazol-3-amine
SMILESCC(C)(C1CC1)n1cnc(N)n1
InChIInChI=1S/C8H14N4/c1-8(2,6-3-4-6)12-5-10-7(9)11-12/h5-6H,3-4H2,1-2H3,(H2,9,11)
InChIKeyJJBYCBMIHXXAJO-UHFFFAOYSA-N
XLogP1.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpropan-2-yl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(2-cyclopropylpropan-2-yl)-1,2,4-triazol-3-amine (CID 127011926) is 1-(2-cyclopropylpropan-2-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(2-cyclopropylpropan-2-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(2-cyclopropylpropan-2-yl)-1,2,4-triazol-3-amine is CC(C)(C1CC1)n1cnc(N)n1.
What is the InChIKey of 1-(2-cyclopropylpropan-2-yl)-1,2,4-triazol-3-amine?
The InChIKey is JJBYCBMIHXXAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-8(2,6-3-4-6)12-5-10-7(9)11-12/h5-6H,3-4H2,1-2H3,(H2,9,11).
What are the key properties of 1-(2-cyclopropylpropan-2-yl)-1,2,4-triazol-3-amine?
1-(2-cyclopropylpropan-2-yl)-1,2,4-triazol-3-amine has a molecular weight of 166.23 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpropan-2-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 127011926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).