2-N-[2-(4-propylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine

C16H30N6 — CID 118964191

IUPAC2-N-[2-(4-propylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine
SMILESCCCN1CCN(CCNc2nn3c(c2N)CCCC3)CC1
InChIInChI=1S/C16H30N6/c1-2-7-20-10-12-21(13-11-20)9-6-18-16-15(17)14-5-3-4-8-22(14)19-16/h2-13,17H2,1H3,(H,18,19)
InChIKeySZPHRUZCRXSAFU-UHFFFAOYSA-N
MW306.46 g/mol
LogP1.24
Rot. Bonds6

About 2-N-[2-(4-propylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine

2-N-[2-(4-propylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine (PubChem CID 118964191) has the molecular formula C16H30N6 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2-N-[2-(4-propylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[2-(4-propylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine
PubChem CID118964191
Molecular FormulaC16H30N6
Molecular Weight306.46 g/mol
Exact Mass306.25
IUPAC Name2-N-[2-(4-propylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine
SMILESCCCN1CCN(CCNc2nn3c(c2N)CCCC3)CC1
InChIInChI=1S/C16H30N6/c1-2-7-20-10-12-21(13-11-20)9-6-18-16-15(17)14-5-3-4-8-22(14)19-16/h2-13,17H2,1H3,(H,18,19)
InChIKeySZPHRUZCRXSAFU-UHFFFAOYSA-N
XLogP1.24
TPSA62.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-propylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine?
The IUPAC name of 2-N-[2-(4-propylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine (CID 118964191) is 2-N-[2-(4-propylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[2-(4-propylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[2-(4-propylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine is CCCN1CCN(CCNc2nn3c(c2N)CCCC3)CC1.
What is the InChIKey of 2-N-[2-(4-propylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine?
The InChIKey is SZPHRUZCRXSAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6/c1-2-7-20-10-12-21(13-11-20)9-6-18-16-15(17)14-5-3-4-8-22(14)19-16/h2-13,17H2,1H3,(H,18,19).
What are the key properties of 2-N-[2-(4-propylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine?
2-N-[2-(4-propylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine has a molecular weight of 306.46 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-propylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine is sourced from PubChem (CID 118964191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).