2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride

C6H9ClN6 — CID 142726691

IUPAC2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESC#CCNc1nc(N)nc(N)n1.Cl
InChIInChI=1S/C6H8N6.ClH/c1-2-3-9-6-11-4(7)10-5(8)12-6;/h1H,3H2,(H5,7,8,9,10,11,12);1H
InChIKeyMBFYSQAOXUUXGR-UHFFFAOYSA-N
MW200.63 g/mol
LogP-0.50
Rot. Bonds2

About 2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride

2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (PubChem CID 142726691) has the molecular formula C6H9ClN6 and a molecular weight of 200.63 g/mol. Its IUPAC name is 2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.

Molecular Properties

Compound Name2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
PubChem CID142726691
Molecular FormulaC6H9ClN6
Molecular Weight200.63 g/mol
Exact Mass200.06
IUPAC Name2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESC#CCNc1nc(N)nc(N)n1.Cl
InChIInChI=1S/C6H8N6.ClH/c1-2-3-9-6-11-4(7)10-5(8)12-6;/h1H,3H2,(H5,7,8,9,10,11,12);1H
InChIKeyMBFYSQAOXUUXGR-UHFFFAOYSA-N
XLogP-0.50
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The IUPAC name of 2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (CID 142726691) is 2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.
What is the SMILES notation for 2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The canonical SMILES for 2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is C#CCNc1nc(N)nc(N)n1.Cl.
What is the InChIKey of 2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The InChIKey is MBFYSQAOXUUXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6.ClH/c1-2-3-9-6-11-4(7)10-5(8)12-6;/h1H,3H2,(H5,7,8,9,10,11,12);1H.
What are the key properties of 2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride has a molecular weight of 200.63 g/mol, XLogP of -0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is sourced from PubChem (CID 142726691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).