2-cyclopropyl-1H-pyridine-2,3,4-triamine

C8H14N4 — CID 154210946

IUPAC2-cyclopropyl-1H-pyridine-2,3,4-triamine
SMILESNC1=C(N)C(N)(C2CC2)NC=C1
InChIInChI=1S/C8H14N4/c9-6-3-4-12-8(11,7(6)10)5-1-2-5/h3-5,12H,1-2,9-11H2
InChIKeyXTFPJNQCBLIMLN-UHFFFAOYSA-N
MW166.23 g/mol
LogP-0.70
Rot. Bonds1

About 2-cyclopropyl-1H-pyridine-2,3,4-triamine

2-cyclopropyl-1H-pyridine-2,3,4-triamine (PubChem CID 154210946) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-cyclopropyl-1H-pyridine-2,3,4-triamine.

Molecular Properties

Compound Name2-cyclopropyl-1H-pyridine-2,3,4-triamine
PubChem CID154210946
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-cyclopropyl-1H-pyridine-2,3,4-triamine
SMILESNC1=C(N)C(N)(C2CC2)NC=C1
InChIInChI=1S/C8H14N4/c9-6-3-4-12-8(11,7(6)10)5-1-2-5/h3-5,12H,1-2,9-11H2
InChIKeyXTFPJNQCBLIMLN-UHFFFAOYSA-N
XLogP-0.70
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1H-pyridine-2,3,4-triamine?
The IUPAC name of 2-cyclopropyl-1H-pyridine-2,3,4-triamine (CID 154210946) is 2-cyclopropyl-1H-pyridine-2,3,4-triamine.
What is the SMILES notation for 2-cyclopropyl-1H-pyridine-2,3,4-triamine?
The canonical SMILES for 2-cyclopropyl-1H-pyridine-2,3,4-triamine is NC1=C(N)C(N)(C2CC2)NC=C1.
What is the InChIKey of 2-cyclopropyl-1H-pyridine-2,3,4-triamine?
The InChIKey is XTFPJNQCBLIMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c9-6-3-4-12-8(11,7(6)10)5-1-2-5/h3-5,12H,1-2,9-11H2.
What are the key properties of 2-cyclopropyl-1H-pyridine-2,3,4-triamine?
2-cyclopropyl-1H-pyridine-2,3,4-triamine has a molecular weight of 166.23 g/mol, XLogP of -0.70, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1H-pyridine-2,3,4-triamine is sourced from PubChem (CID 154210946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).