N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine

C9H13N7 — CID 62541127

IUPACN-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine
SMILESc1ncc2nnnn2c1NCC1CCCN1
InChIInChI=1S/C9H13N7/c1-2-7(11-3-1)4-12-8-5-10-6-9-13-14-15-16(8)9/h5-7,11-12H,1-4H2
InChIKeyPIQLOABUZGPVRA-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.32
Rot. Bonds3

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

N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 62541127) has the molecular formula C9H13N7 and a molecular weight of 219.25 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine
PubChem CID62541127
Molecular FormulaC9H13N7
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC NameN-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine
SMILESc1ncc2nnnn2c1NCC1CCCN1
InChIInChI=1S/C9H13N7/c1-2-7(11-3-1)4-12-8-5-10-6-9-13-14-15-16(8)9/h5-7,11-12H,1-4H2
InChIKeyPIQLOABUZGPVRA-UHFFFAOYSA-N
XLogP-0.32
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine (CID 62541127) is N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine is c1ncc2nnnn2c1NCC1CCCN1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is PIQLOABUZGPVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7/c1-2-7(11-3-1)4-12-8-5-10-6-9-13-14-15-16(8)9/h5-7,11-12H,1-4H2.
What are the key properties of N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine?
N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 219.25 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 62541127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).