N-phenyltetrazin-5-amine

C8H7N5 — CID 118011274

IUPACN-phenyltetrazin-5-amine
SMILESc1ccc(Nc2cnnnn2)cc1
InChIInChI=1S/C8H7N5/c1-2-4-7(5-3-1)10-8-6-9-12-13-11-8/h1-6H,(H,10,11,12)
InChIKeyXURPVLSGRKLXEB-UHFFFAOYSA-N
MW173.18 g/mol
LogP1.01
Rot. Bonds2

About N-phenyltetrazin-5-amine

N-phenyltetrazin-5-amine (PubChem CID 118011274) has the molecular formula C8H7N5 and a molecular weight of 173.18 g/mol. Its IUPAC name is N-phenyltetrazin-5-amine.

Molecular Properties

Compound NameN-phenyltetrazin-5-amine
PubChem CID118011274
Molecular FormulaC8H7N5
Molecular Weight173.18 g/mol
Exact Mass173.07
IUPAC NameN-phenyltetrazin-5-amine
SMILESc1ccc(Nc2cnnnn2)cc1
InChIInChI=1S/C8H7N5/c1-2-4-7(5-3-1)10-8-6-9-12-13-11-8/h1-6H,(H,10,11,12)
InChIKeyXURPVLSGRKLXEB-UHFFFAOYSA-N
XLogP1.01
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyltetrazin-5-amine?
The IUPAC name of N-phenyltetrazin-5-amine (CID 118011274) is N-phenyltetrazin-5-amine.
What is the SMILES notation for N-phenyltetrazin-5-amine?
The canonical SMILES for N-phenyltetrazin-5-amine is c1ccc(Nc2cnnnn2)cc1.
What is the InChIKey of N-phenyltetrazin-5-amine?
The InChIKey is XURPVLSGRKLXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5/c1-2-4-7(5-3-1)10-8-6-9-12-13-11-8/h1-6H,(H,10,11,12).
What are the key properties of N-phenyltetrazin-5-amine?
N-phenyltetrazin-5-amine has a molecular weight of 173.18 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyltetrazin-5-amine is sourced from PubChem (CID 118011274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).