1-[2-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)ethyl]cyclopropan-1-amine

C11H18N4 — CID 105459565

IUPAC1-[2-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2nnn3c2CCCC3)CC1
InChIInChI=1S/C11H18N4/c12-11(6-7-11)5-4-9-10-3-1-2-8-15(10)14-13-9/h1-8,12H2
InChIKeyQITYWQPIPAUPFY-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.04
Rot. Bonds3

About 1-[2-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)ethyl]cyclopropan-1-amine

1-[2-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)ethyl]cyclopropan-1-amine (PubChem CID 105459565) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[2-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)ethyl]cyclopropan-1-amine
PubChem CID105459565
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-[2-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2nnn3c2CCCC3)CC1
InChIInChI=1S/C11H18N4/c12-11(6-7-11)5-4-9-10-3-1-2-8-15(10)14-13-9/h1-8,12H2
InChIKeyQITYWQPIPAUPFY-UHFFFAOYSA-N
XLogP1.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)ethyl]cyclopropan-1-amine (CID 105459565) is 1-[2-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)ethyl]cyclopropan-1-amine is NC1(CCc2nnn3c2CCCC3)CC1.
What is the InChIKey of 1-[2-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)ethyl]cyclopropan-1-amine?
The InChIKey is QITYWQPIPAUPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c12-11(6-7-11)5-4-9-10-3-1-2-8-15(10)14-13-9/h1-8,12H2.
What are the key properties of 1-[2-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)ethyl]cyclopropan-1-amine?
1-[2-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)ethyl]cyclopropan-1-amine has a molecular weight of 206.29 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105459565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).