N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine

C11H15N7 — CID 107489227

IUPACN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine
SMILESC1=C(CCNc2cncc3nnnn23)CCNC1
InChIInChI=1S/C11H15N7/c1-4-12-5-2-9(1)3-6-14-10-7-13-8-11-15-16-17-18(10)11/h1,7-8,12,14H,2-6H2
InChIKeyZNODCYHCJYHTKS-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.24
Rot. Bonds4

About N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine

N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 107489227) has the molecular formula C11H15N7 and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine
PubChem CID107489227
Molecular FormulaC11H15N7
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine
SMILESC1=C(CCNc2cncc3nnnn23)CCNC1
InChIInChI=1S/C11H15N7/c1-4-12-5-2-9(1)3-6-14-10-7-13-8-11-15-16-17-18(10)11/h1,7-8,12,14H,2-6H2
InChIKeyZNODCYHCJYHTKS-UHFFFAOYSA-N
XLogP0.24
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine (CID 107489227) is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine is C1=C(CCNc2cncc3nnnn23)CCNC1.
What is the InChIKey of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is ZNODCYHCJYHTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7/c1-4-12-5-2-9(1)3-6-14-10-7-13-8-11-15-16-17-18(10)11/h1,7-8,12,14H,2-6H2.
What are the key properties of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine?
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 245.29 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 107489227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).