N-benzyltetrazin-5-amine

C9H9N5 — CID 91284101

IUPACN-benzyltetrazin-5-amine
SMILESc1ccc(CNc2cnnnn2)cc1
InChIInChI=1S/C9H9N5/c1-2-4-8(5-3-1)6-10-9-7-11-13-14-12-9/h1-5,7H,6H2,(H,10,12,13)
InChIKeyFIBGJVKRULGAAQ-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.88
Rot. Bonds3

About N-benzyltetrazin-5-amine

N-benzyltetrazin-5-amine (PubChem CID 91284101) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is N-benzyltetrazin-5-amine.

Molecular Properties

Compound NameN-benzyltetrazin-5-amine
PubChem CID91284101
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC NameN-benzyltetrazin-5-amine
SMILESc1ccc(CNc2cnnnn2)cc1
InChIInChI=1S/C9H9N5/c1-2-4-8(5-3-1)6-10-9-7-11-13-14-12-9/h1-5,7H,6H2,(H,10,12,13)
InChIKeyFIBGJVKRULGAAQ-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

3-N-benzyl-5-N-(pyridin-4-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947704
N-benzyl-1,2,4,5-tetrazin-3-amine
CID 66725267
N-benzyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 20880739
5-N-benzyl-3-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939697
5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112947577
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
6-(benzylamino)pyridazine-4-carbothioamide
CID 130913254
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-5-phenylpyridin-2-amine
CID 24949412
N-benzyl-5-ethylpyridin-2-amine
CID 53404811
2-N-benzylpyrazine-2,6-diamine
CID 70838336

Frequently Asked Questions

What is the IUPAC name of N-benzyltetrazin-5-amine?
The IUPAC name of N-benzyltetrazin-5-amine (CID 91284101) is N-benzyltetrazin-5-amine.
What is the SMILES notation for N-benzyltetrazin-5-amine?
The canonical SMILES for N-benzyltetrazin-5-amine is c1ccc(CNc2cnnnn2)cc1.
What is the InChIKey of N-benzyltetrazin-5-amine?
The InChIKey is FIBGJVKRULGAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c1-2-4-8(5-3-1)6-10-9-7-11-13-14-12-9/h1-5,7H,6H2,(H,10,12,13).
What are the key properties of N-benzyltetrazin-5-amine?
N-benzyltetrazin-5-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-benzyltetrazin-5-amine is sourced from PubChem (CID 91284101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).