1,3,5-triazine-2,4-diamine;hydrochloride

C3H6ClN5 — CID 71443729

IUPAC1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCl.Nc1ncnc(N)n1
InChIInChI=1S/C3H5N5.ClH/c4-2-6-1-7-3(5)8-2;/h1H,(H4,4,5,6,7,8);1H
InChIKeyMJGZZIJKIRZIGC-UHFFFAOYSA-N
MW147.57 g/mol
LogP-0.54
Rot. Bonds

About 1,3,5-triazine-2,4-diamine;hydrochloride

1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 71443729) has the molecular formula C3H6ClN5 and a molecular weight of 147.57 g/mol. Its IUPAC name is 1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID71443729
Molecular FormulaC3H6ClN5
Molecular Weight147.57 g/mol
Exact Mass147.03
IUPAC Name1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCl.Nc1ncnc(N)n1
InChIInChI=1S/C3H5N5.ClH/c4-2-6-1-7-3(5)8-2;/h1H,(H4,4,5,6,7,8);1H
InChIKeyMJGZZIJKIRZIGC-UHFFFAOYSA-N
XLogP-0.54
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.57
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazine
CID 9262
1,3,5-Triazine-2,4-diamine
CID 10435
1,3,5-Triazin-2-amine
CID 20077
4-Amino-2-dimethylamino-1,3,5-triazine
CID 296361
1,3,5-Triazin-2-amine, 4-chloro-
CID 24381
(~2~H_3_)-1,3,5-Triazine
CID 16217608
s-Triazine, 2-amino-4-anilino-, hydrochloride
CID 3057065
2-Chloro-1,3,5-triazine
CID 5215566
Amino-fluoro-s-triazine
CID 20081031
1,3,5-Triazine hydrochloride
CID 17876122
N,N,N-Trimethyl-1,3,5-triazin-2-aminium chloride
CID 24193693
N-methyl-1,3,5-triazin-2-amine
CID 19952

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 1,3,5-triazine-2,4-diamine;hydrochloride (CID 71443729) is 1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 1,3,5-triazine-2,4-diamine;hydrochloride is Cl.Nc1ncnc(N)n1.
What is the InChIKey of 1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is MJGZZIJKIRZIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5.ClH/c4-2-6-1-7-3(5)8-2;/h1H,(H4,4,5,6,7,8);1H.
What are the key properties of 1,3,5-triazine-2,4-diamine;hydrochloride?
1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 147.57 g/mol, XLogP of -0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 71443729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).