1-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)cyclopropan-1-amine

C9H14N4 — CID 84767683

IUPAC1-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)cyclopropan-1-amine
SMILESNC1(c2nnn3c2CCCC3)CC1
InChIInChI=1S/C9H14N4/c10-9(4-5-9)8-7-3-1-2-6-13(7)12-11-8/h1-6,10H2
InChIKeyWYTGLGZZOJNNDZ-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.56
Rot. Bonds1

About 1-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)cyclopropan-1-amine

1-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)cyclopropan-1-amine (PubChem CID 84767683) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)cyclopropan-1-amine
PubChem CID84767683
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)cyclopropan-1-amine
SMILESNC1(c2nnn3c2CCCC3)CC1
InChIInChI=1S/C9H14N4/c10-9(4-5-9)8-7-3-1-2-6-13(7)12-11-8/h1-6,10H2
InChIKeyWYTGLGZZOJNNDZ-UHFFFAOYSA-N
XLogP0.56
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)cyclopropan-1-amine?
The IUPAC name of 1-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)cyclopropan-1-amine (CID 84767683) is 1-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)cyclopropan-1-amine is NC1(c2nnn3c2CCCC3)CC1.
What is the InChIKey of 1-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)cyclopropan-1-amine?
The InChIKey is WYTGLGZZOJNNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c10-9(4-5-9)8-7-3-1-2-6-13(7)12-11-8/h1-6,10H2.
What are the key properties of 1-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)cyclopropan-1-amine?
1-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)cyclopropan-1-amine has a molecular weight of 178.24 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)cyclopropan-1-amine is sourced from PubChem (CID 84767683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).