3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propan-1-amine

C9H16N4 — CID 135732764

IUPAC3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propan-1-amine
SMILESNCCCc1cnn2c1NCCC2
InChIInChI=1S/C9H16N4/c10-4-1-3-8-7-12-13-6-2-5-11-9(8)13/h7,11H,1-6,10H2
InChIKeyCVNYRKOPZDZBAX-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.59
Rot. Bonds3

About 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propan-1-amine

3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propan-1-amine (PubChem CID 135732764) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propan-1-amine
PubChem CID135732764
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propan-1-amine
SMILESNCCCc1cnn2c1NCCC2
InChIInChI=1S/C9H16N4/c10-4-1-3-8-7-12-13-6-2-5-11-9(8)13/h7,11H,1-6,10H2
InChIKeyCVNYRKOPZDZBAX-UHFFFAOYSA-N
XLogP0.59
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propan-1-amine?
The IUPAC name of 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propan-1-amine (CID 135732764) is 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propan-1-amine.
What is the SMILES notation for 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propan-1-amine?
The canonical SMILES for 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propan-1-amine is NCCCc1cnn2c1NCCC2.
What is the InChIKey of 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propan-1-amine?
The InChIKey is CVNYRKOPZDZBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c10-4-1-3-8-7-12-13-6-2-5-11-9(8)13/h7,11H,1-6,10H2.
What are the key properties of 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propan-1-amine?
3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propan-1-amine is sourced from PubChem (CID 135732764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).