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

C3H5N5 — CID 10435

IUPAC1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(N)n1
InChIInChI=1S/C3H5N5/c4-2-6-1-7-3(5)8-2/h1H,(H4,4,5,6,7,8)
InChIKeyVZXTWGWHSMCWGA-UHFFFAOYSA-N
MW111.11 g/mol
LogP-0.96
Rot. Bonds

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

1,3,5-triazine-2,4-diamine (PubChem CID 10435) has the molecular formula C3H5N5 and a molecular weight of 111.11 g/mol. Its IUPAC name is 1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1,3,5-triazine-2,4-diamine
PubChem CID10435
Molecular FormulaC3H5N5
Molecular Weight111.11 g/mol
Exact Mass111.05
IUPAC Name1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(N)n1
InChIInChI=1S/C3H5N5/c4-2-6-1-7-3(5)8-2/h1H,(H4,4,5,6,7,8)
InChIKeyVZXTWGWHSMCWGA-UHFFFAOYSA-N
XLogP-0.96
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.11
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazine
CID 9262
1,3,5-Triazin-2-amine
CID 20077
4-Amino-2-dimethylamino-1,3,5-triazine
CID 296361
4-Methoxy-1,3,5-triazin-2-amine
CID 14288
1,3,5-Triazin-2-amine, 4-chloro-
CID 24381
(~2~H_3_)-1,3,5-Triazine
CID 16217608
Amino-fluoro-s-triazine
CID 20081031
Methylene melamine
CID 23514485
1,3,5-Triazine hydrochloride
CID 17876122
N-methyl-1,3,5-triazin-2-amine
CID 19952
N,N-dimethyl-1,3,5-triazin-2-amine
CID 19953
4,6-Dihydrazino-sym-triazine
CID 12237286

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine-2,4-diamine?
The IUPAC name of 1,3,5-triazine-2,4-diamine (CID 10435) is 1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1,3,5-triazine-2,4-diamine is Nc1ncnc(N)n1.
What is the InChIKey of 1,3,5-triazine-2,4-diamine?
The InChIKey is VZXTWGWHSMCWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5/c4-2-6-1-7-3(5)8-2/h1H,(H4,4,5,6,7,8).
What are the key properties of 1,3,5-triazine-2,4-diamine?
1,3,5-triazine-2,4-diamine has a molecular weight of 111.11 g/mol, XLogP of -0.96, 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 is sourced from PubChem (CID 10435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).