triazin-1-ium-4-amine chloride

C3H5ClN4 — CID 135621781

IUPACtriazin-1-ium-4-amine chloride
SMILESNc1cc[nH+]nn1.[Cl-]
InChIInChI=1S/C3H4N4.ClH/c4-3-1-2-5-7-6-3;/h1-2H,(H2,4,5,6);1H
InChIKeyMUZZAQZCQRHXMC-UHFFFAOYSA-N
MW132.55 g/mol
LogP-4.12
Rot. Bonds

About triazin-1-ium-4-amine chloride

triazin-1-ium-4-amine chloride (PubChem CID 135621781) has the molecular formula C3H5ClN4 and a molecular weight of 132.55 g/mol. Its IUPAC name is triazin-1-ium-4-amine chloride.

Molecular Properties

Compound Nametriazin-1-ium-4-amine chloride
PubChem CID135621781
Molecular FormulaC3H5ClN4
Molecular Weight132.55 g/mol
Exact Mass132.02
IUPAC Nametriazin-1-ium-4-amine chloride
SMILESNc1cc[nH+]nn1.[Cl-]
InChIInChI=1S/C3H4N4.ClH/c4-3-1-2-5-7-6-3;/h1-2H,(H2,4,5,6);1H
InChIKeyMUZZAQZCQRHXMC-UHFFFAOYSA-N
XLogP-4.12
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.55
LogP ≤ 5-4.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Aminotriazine
CID 18544386
Hydrazinotriazine
CID 22352238
Azidotriazine
CID 22560135
Nitroaminotriazine
CID 129771221
N-fluorotriazin-4-amine
CID 19422364
Azidoaminotriazine
CID 135121399
N-chlorotriazin-4-amine
CID 19609407
Formaldehyde;triazin-4-amine
CID 19877061
Triazin-1-ium chloride
CID 20244336
Triazin-1-ium
CID 21863973
(Triazin-4-ylamino)urea
CID 66709637
1-Pentyl-2-(triazin-4-yl)hydrazine
CID 67103777

Frequently Asked Questions

What is the IUPAC name of triazin-1-ium-4-amine chloride?
The IUPAC name of triazin-1-ium-4-amine chloride (CID 135621781) is triazin-1-ium-4-amine chloride.
What is the SMILES notation for triazin-1-ium-4-amine chloride?
The canonical SMILES for triazin-1-ium-4-amine chloride is Nc1cc[nH+]nn1.[Cl-].
What is the InChIKey of triazin-1-ium-4-amine chloride?
The InChIKey is MUZZAQZCQRHXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4.ClH/c4-3-1-2-5-7-6-3;/h1-2H,(H2,4,5,6);1H.
What are the key properties of triazin-1-ium-4-amine chloride?
triazin-1-ium-4-amine chloride has a molecular weight of 132.55 g/mol, XLogP of -4.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triazin-1-ium-4-amine chloride is sourced from PubChem (CID 135621781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).