2-propyl-N-(tetrazolo[1,5-a]pyrazin-5-yl)butane-1,4-diamine

C11H19N7 — CID 106116411

IUPAC2-propyl-N-(tetrazolo[1,5-a]pyrazin-5-yl)butane-1,4-diamine
SMILESCCCC(CCN)CNc1cncc2nnnn12
InChIInChI=1S/C11H19N7/c1-2-3-9(4-5-12)6-14-10-7-13-8-11-15-16-17-18(10)11/h7-9,14H,2-6,12H2,1H3
InChIKeyBOGVVGHPWKMAJJ-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.70
Rot. Bonds7

About 2-propyl-N-(tetrazolo[1,5-a]pyrazin-5-yl)butane-1,4-diamine

2-propyl-N-(tetrazolo[1,5-a]pyrazin-5-yl)butane-1,4-diamine (PubChem CID 106116411) has the molecular formula C11H19N7 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-propyl-N-(tetrazolo[1,5-a]pyrazin-5-yl)butane-1,4-diamine.

Molecular Properties

Compound Name2-propyl-N-(tetrazolo[1,5-a]pyrazin-5-yl)butane-1,4-diamine
PubChem CID106116411
Molecular FormulaC11H19N7
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name2-propyl-N-(tetrazolo[1,5-a]pyrazin-5-yl)butane-1,4-diamine
SMILESCCCC(CCN)CNc1cncc2nnnn12
InChIInChI=1S/C11H19N7/c1-2-3-9(4-5-12)6-14-10-7-13-8-11-15-16-17-18(10)11/h7-9,14H,2-6,12H2,1H3
InChIKeyBOGVVGHPWKMAJJ-UHFFFAOYSA-N
XLogP0.70
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-(tetrazolo[1,5-a]pyrazin-5-yl)butane-1,4-diamine?
The IUPAC name of 2-propyl-N-(tetrazolo[1,5-a]pyrazin-5-yl)butane-1,4-diamine (CID 106116411) is 2-propyl-N-(tetrazolo[1,5-a]pyrazin-5-yl)butane-1,4-diamine.
What is the SMILES notation for 2-propyl-N-(tetrazolo[1,5-a]pyrazin-5-yl)butane-1,4-diamine?
The canonical SMILES for 2-propyl-N-(tetrazolo[1,5-a]pyrazin-5-yl)butane-1,4-diamine is CCCC(CCN)CNc1cncc2nnnn12.
What is the InChIKey of 2-propyl-N-(tetrazolo[1,5-a]pyrazin-5-yl)butane-1,4-diamine?
The InChIKey is BOGVVGHPWKMAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7/c1-2-3-9(4-5-12)6-14-10-7-13-8-11-15-16-17-18(10)11/h7-9,14H,2-6,12H2,1H3.
What are the key properties of 2-propyl-N-(tetrazolo[1,5-a]pyrazin-5-yl)butane-1,4-diamine?
2-propyl-N-(tetrazolo[1,5-a]pyrazin-5-yl)butane-1,4-diamine has a molecular weight of 249.32 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-(tetrazolo[1,5-a]pyrazin-5-yl)butane-1,4-diamine is sourced from PubChem (CID 106116411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).