N-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine

C10H9N7 — CID 63587706

IUPACN-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine
SMILESc1ccc2c(NCc3nn[nH]n3)cnnc2c1
InChIInChI=1S/C10H9N7/c1-2-4-8-7(3-1)9(5-12-13-8)11-6-10-14-16-17-15-10/h1-5H,6H2,(H,11,13)(H,14,15,16,17)
InChIKeyYWFVPCLVLHHCPB-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.75
Rot. Bonds3

About N-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine

N-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine (PubChem CID 63587706) has the molecular formula C10H9N7 and a molecular weight of 227.23 g/mol. Its IUPAC name is N-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine.

Molecular Properties

Compound NameN-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine
PubChem CID63587706
Molecular FormulaC10H9N7
Molecular Weight227.23 g/mol
Exact Mass227.09
IUPAC NameN-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine
SMILESc1ccc2c(NCc3nn[nH]n3)cnnc2c1
InChIInChI=1S/C10H9N7/c1-2-4-8-7(3-1)9(5-12-13-8)11-6-10-14-16-17-15-10/h1-5H,6H2,(H,11,13)(H,14,15,16,17)
InChIKeyYWFVPCLVLHHCPB-UHFFFAOYSA-N
XLogP0.75
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine?
The IUPAC name of N-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine (CID 63587706) is N-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine.
What is the SMILES notation for N-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine?
The canonical SMILES for N-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine is c1ccc2c(NCc3nn[nH]n3)cnnc2c1.
What is the InChIKey of N-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine?
The InChIKey is YWFVPCLVLHHCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7/c1-2-4-8-7(3-1)9(5-12-13-8)11-6-10-14-16-17-15-10/h1-5H,6H2,(H,11,13)(H,14,15,16,17).
What are the key properties of N-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine?
N-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine has a molecular weight of 227.23 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine is sourced from PubChem (CID 63587706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).