2-cyclopropyl-2H-1,3,5-triazine-1,4,6-triamine

C6H12N6 — CID 67066944

IUPAC2-cyclopropyl-2H-1,3,5-triazine-1,4,6-triamine
SMILESNC1=NC(C2CC2)N(N)C(N)=N1
InChIInChI=1S/C6H12N6/c7-5-10-4(3-1-2-3)12(9)6(8)11-5/h3-4H,1-2,9H2,(H4,7,8,10,11)
InChIKeyBDCJLBOSMJBNFM-UHFFFAOYSA-N
MW168.20 g/mol
LogP-1.46
Rot. Bonds1

About 2-cyclopropyl-2H-1,3,5-triazine-1,4,6-triamine

2-cyclopropyl-2H-1,3,5-triazine-1,4,6-triamine (PubChem CID 67066944) has the molecular formula C6H12N6 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-cyclopropyl-2H-1,3,5-triazine-1,4,6-triamine.

Molecular Properties

Compound Name2-cyclopropyl-2H-1,3,5-triazine-1,4,6-triamine
PubChem CID67066944
Molecular FormulaC6H12N6
Molecular Weight168.20 g/mol
Exact Mass168.11
IUPAC Name2-cyclopropyl-2H-1,3,5-triazine-1,4,6-triamine
SMILESNC1=NC(C2CC2)N(N)C(N)=N1
InChIInChI=1S/C6H12N6/c7-5-10-4(3-1-2-3)12(9)6(8)11-5/h3-4H,1-2,9H2,(H4,7,8,10,11)
InChIKeyBDCJLBOSMJBNFM-UHFFFAOYSA-N
XLogP-1.46
TPSA106.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2H-1,3,5-triazine-1,4,6-triamine?
The IUPAC name of 2-cyclopropyl-2H-1,3,5-triazine-1,4,6-triamine (CID 67066944) is 2-cyclopropyl-2H-1,3,5-triazine-1,4,6-triamine.
What is the SMILES notation for 2-cyclopropyl-2H-1,3,5-triazine-1,4,6-triamine?
The canonical SMILES for 2-cyclopropyl-2H-1,3,5-triazine-1,4,6-triamine is NC1=NC(C2CC2)N(N)C(N)=N1.
What is the InChIKey of 2-cyclopropyl-2H-1,3,5-triazine-1,4,6-triamine?
The InChIKey is BDCJLBOSMJBNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6/c7-5-10-4(3-1-2-3)12(9)6(8)11-5/h3-4H,1-2,9H2,(H4,7,8,10,11).
What are the key properties of 2-cyclopropyl-2H-1,3,5-triazine-1,4,6-triamine?
2-cyclopropyl-2H-1,3,5-triazine-1,4,6-triamine has a molecular weight of 168.20 g/mol, XLogP of -1.46, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2H-1,3,5-triazine-1,4,6-triamine is sourced from PubChem (CID 67066944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).