N-benzyl-1,2,4,5-tetrazin-3-amine

C9H9N5 — CID 66725267

IUPACN-benzyl-1,2,4,5-tetrazin-3-amine
SMILESc1ccc(CNc2nncnn2)cc1
InChIInChI=1S/C9H9N5/c1-2-4-8(5-3-1)6-10-9-13-11-7-12-14-9/h1-5,7H,6H2,(H,10,13,14)
InChIKeyIKJTUVOMGWWUPM-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.88
Rot. Bonds3

About N-benzyl-1,2,4,5-tetrazin-3-amine

N-benzyl-1,2,4,5-tetrazin-3-amine (PubChem CID 66725267) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is N-benzyl-1,2,4,5-tetrazin-3-amine.

Molecular Properties

Compound NameN-benzyl-1,2,4,5-tetrazin-3-amine
PubChem CID66725267
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC NameN-benzyl-1,2,4,5-tetrazin-3-amine
SMILESc1ccc(CNc2nncnn2)cc1
InChIInChI=1S/C9H9N5/c1-2-4-8(5-3-1)6-10-9-13-11-7-12-14-9/h1-5,7H,6H2,(H,10,13,14)
InChIKeyIKJTUVOMGWWUPM-UHFFFAOYSA-N
XLogP0.88
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-aminophenyl)methyl]-1,2,4,5-tetrazin-3-amine
CID 170855880
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
3-N-benzyl-5-N-(pyridin-4-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947704
N-benzyltetrazin-5-amine
CID 91284101
2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589426
3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine
CID 112947736
CID 163931246
CID 163931246
5-N-benzyl-3-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939697
3-N-benzyl-6-chloro-1,2,4-triazine-3,5-diamine
CID 130708825
5-N-benzyl-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112947608
5-N-benzyl-3-N-(4-bromophenyl)-1,2,4-triazine-3,5-diamine
CID 112947619
N-benzyl-1H-imidazol-2-amine
CID 12847936

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,2,4,5-tetrazin-3-amine?
The IUPAC name of N-benzyl-1,2,4,5-tetrazin-3-amine (CID 66725267) is N-benzyl-1,2,4,5-tetrazin-3-amine.
What is the SMILES notation for N-benzyl-1,2,4,5-tetrazin-3-amine?
The canonical SMILES for N-benzyl-1,2,4,5-tetrazin-3-amine is c1ccc(CNc2nncnn2)cc1.
What is the InChIKey of N-benzyl-1,2,4,5-tetrazin-3-amine?
The InChIKey is IKJTUVOMGWWUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c1-2-4-8(5-3-1)6-10-9-13-11-7-12-14-9/h1-5,7H,6H2,(H,10,13,14).
What are the key properties of N-benzyl-1,2,4,5-tetrazin-3-amine?
N-benzyl-1,2,4,5-tetrazin-3-amine has a molecular weight of 187.21 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,2,4,5-tetrazin-3-amine is sourced from PubChem (CID 66725267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).