N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine

C12H19N7 — CID 55090669

IUPACN-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN1c1cncc2nnnn12
InChIInChI=1S/C12H19N7/c1-9(2)14-6-10-4-3-5-18(10)12-8-13-7-11-15-16-17-19(11)12/h7-10,14H,3-6H2,1-2H3
InChIKeyQPGHQJICCBYPGF-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.49
Rot. Bonds4

About N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine

N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine (PubChem CID 55090669) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine
PubChem CID55090669
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC NameN-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN1c1cncc2nnnn12
InChIInChI=1S/C12H19N7/c1-9(2)14-6-10-4-3-5-18(10)12-8-13-7-11-15-16-17-19(11)12/h7-10,14H,3-6H2,1-2H3
InChIKeyQPGHQJICCBYPGF-UHFFFAOYSA-N
XLogP0.49
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine (CID 55090669) is N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine is CC(C)NCC1CCCN1c1cncc2nnnn12.
What is the InChIKey of N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
The InChIKey is QPGHQJICCBYPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-9(2)14-6-10-4-3-5-18(10)12-8-13-7-11-15-16-17-19(11)12/h7-10,14H,3-6H2,1-2H3.
What are the key properties of N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine has a molecular weight of 261.33 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 55090669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).