boric acid;triazin-4-amine

C3H7BN4O3 — CID 67707715

IUPACboric acid;triazin-4-amine
SMILESNc1ccnnn1.OB(O)O
InChIInChI=1S/C3H4N4.BH3O3/c4-3-1-2-5-7-6-3;2-1(3)4/h1-2H,(H2,4,5,6);2-4H
InChIKeyYRYYWCNWYKILRO-UHFFFAOYSA-N
MW157.93 g/mol
LogP-2.60
Rot. Bonds

About boric acid;triazin-4-amine

boric acid;triazin-4-amine (PubChem CID 67707715) has the molecular formula C3H7BN4O3 and a molecular weight of 157.93 g/mol. Its IUPAC name is boric acid;triazin-4-amine.

Molecular Properties

Compound Nameboric acid;triazin-4-amine
PubChem CID67707715
Molecular FormulaC3H7BN4O3
Molecular Weight157.93 g/mol
Exact Mass158.06
IUPAC Nameboric acid;triazin-4-amine
SMILESNc1ccnnn1.OB(O)O
InChIInChI=1S/C3H4N4.BH3O3/c4-3-1-2-5-7-6-3;2-1(3)4/h1-2H,(H2,4,5,6);2-4H
InChIKeyYRYYWCNWYKILRO-UHFFFAOYSA-N
XLogP-2.60
TPSA125.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.93
LogP ≤ 5-2.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Aminotriazine
CID 18544386
Hydrazinotriazine
CID 22352238
Azidotriazine
CID 22560135
Guanidinotriazine
CID 68866390
Nitroaminotriazine
CID 129771221
n-Triazinylammonium chloride
CID 135621781
N-fluorotriazin-4-amine
CID 19422364
Azidoaminotriazine
CID 135121399
N-chlorotriazin-4-amine
CID 19609407
Formaldehyde;triazin-4-amine
CID 19877061
Sulfuric acid;triazin-4-amine
CID 66602143
Sulfamic acid;triazin-4-amine
CID 67707689

Frequently Asked Questions

What is the IUPAC name of boric acid;triazin-4-amine?
The IUPAC name of boric acid;triazin-4-amine (CID 67707715) is boric acid;triazin-4-amine.
What is the SMILES notation for boric acid;triazin-4-amine?
The canonical SMILES for boric acid;triazin-4-amine is Nc1ccnnn1.OB(O)O.
What is the InChIKey of boric acid;triazin-4-amine?
The InChIKey is YRYYWCNWYKILRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4.BH3O3/c4-3-1-2-5-7-6-3;2-1(3)4/h1-2H,(H2,4,5,6);2-4H.
What are the key properties of boric acid;triazin-4-amine?
boric acid;triazin-4-amine has a molecular weight of 157.93 g/mol, XLogP of -2.60, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;triazin-4-amine is sourced from PubChem (CID 67707715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).