6-methyl-2H-1,2,4,5-tetrazepin-3-amine;hydrochloride

C4H8ClN5 — CID 6400718

IUPAC6-methyl-2H-1,2,4,5-tetrazepin-3-amine;hydrochloride
SMILESCC1=NN=C(N)NN=C1.Cl
InChIInChI=1S/C4H7N5.ClH/c1-3-2-6-8-4(5)9-7-3;/h2H,1H3,(H3,5,8,9);1H
InChIKeyCVGDJVJXKAMFNM-UHFFFAOYSA-N
MW161.60 g/mol
LogP-0.31
Rot. Bonds

About 6-methyl-2H-1,2,4,5-tetrazepin-3-amine;hydrochloride

6-methyl-2H-1,2,4,5-tetrazepin-3-amine;hydrochloride (PubChem CID 6400718) has the molecular formula C4H8ClN5 and a molecular weight of 161.60 g/mol. Its IUPAC name is 6-methyl-2H-1,2,4,5-tetrazepin-3-amine;hydrochloride.

Molecular Properties

Compound Name6-methyl-2H-1,2,4,5-tetrazepin-3-amine;hydrochloride
PubChem CID6400718
Molecular FormulaC4H8ClN5
Molecular Weight161.60 g/mol
Exact Mass161.05
IUPAC Name6-methyl-2H-1,2,4,5-tetrazepin-3-amine;hydrochloride
SMILESCC1=NN=C(N)NN=C1.Cl
InChIInChI=1S/C4H7N5.ClH/c1-3-2-6-8-4(5)9-7-3;/h2H,1H3,(H3,5,8,9);1H
InChIKeyCVGDJVJXKAMFNM-UHFFFAOYSA-N
XLogP-0.31
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.60
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2H-1,2,4,5-tetrazepin-3-amine;hydrochloride?
The IUPAC name of 6-methyl-2H-1,2,4,5-tetrazepin-3-amine;hydrochloride (CID 6400718) is 6-methyl-2H-1,2,4,5-tetrazepin-3-amine;hydrochloride.
What is the SMILES notation for 6-methyl-2H-1,2,4,5-tetrazepin-3-amine;hydrochloride?
The canonical SMILES for 6-methyl-2H-1,2,4,5-tetrazepin-3-amine;hydrochloride is CC1=NN=C(N)NN=C1.Cl.
What is the InChIKey of 6-methyl-2H-1,2,4,5-tetrazepin-3-amine;hydrochloride?
The InChIKey is CVGDJVJXKAMFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5.ClH/c1-3-2-6-8-4(5)9-7-3;/h2H,1H3,(H3,5,8,9);1H.
What are the key properties of 6-methyl-2H-1,2,4,5-tetrazepin-3-amine;hydrochloride?
6-methyl-2H-1,2,4,5-tetrazepin-3-amine;hydrochloride has a molecular weight of 161.60 g/mol, XLogP of -0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2H-1,2,4,5-tetrazepin-3-amine;hydrochloride is sourced from PubChem (CID 6400718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).