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

C10H13N7 — CID 114694406

IUPACN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine
SMILESC1=C(CNc2cncc3nnnn23)CCNC1
InChIInChI=1S/C10H13N7/c1-3-11-4-2-8(1)5-13-9-6-12-7-10-14-15-16-17(9)10/h1,6-7,11,13H,2-5H2
InChIKeyWCMZDORYMWPDJZ-UHFFFAOYSA-N
MW231.26 g/mol
LogP-0.15
Rot. Bonds3

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

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 114694406) has the molecular formula C10H13N7 and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine
PubChem CID114694406
Molecular FormulaC10H13N7
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine
SMILESC1=C(CNc2cncc3nnnn23)CCNC1
InChIInChI=1S/C10H13N7/c1-3-11-4-2-8(1)5-13-9-6-12-7-10-14-15-16-17(9)10/h1,6-7,11,13H,2-5H2
InChIKeyWCMZDORYMWPDJZ-UHFFFAOYSA-N
XLogP-0.15
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 5-0.15
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-(1,2,3,6-tetrahydropyridin-4-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine (CID 114694406) is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine is C1=C(CNc2cncc3nnnn23)CCNC1.
What is the InChIKey of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is WCMZDORYMWPDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7/c1-3-11-4-2-8(1)5-13-9-6-12-7-10-14-15-16-17(9)10/h1,6-7,11,13H,2-5H2.
What are the key properties of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine?
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 231.26 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)tetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 114694406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).