6-prop-1-en-2-yl-1,3,5-triazine-2,4-diamine

C6H9N5 — CID 657570

IUPAC6-prop-1-en-2-yl-1,3,5-triazine-2,4-diamine
SMILESC=C(C)c1nc(N)nc(N)n1
InChIInChI=1S/C6H9N5/c1-3(2)4-9-5(7)11-6(8)10-4/h1H2,2H3,(H4,7,8,9,10,11)
InChIKeyHEFKYCRVGSQGCR-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.07
Rot. Bonds1

About 6-prop-1-en-2-yl-1,3,5-triazine-2,4-diamine

6-prop-1-en-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 657570) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is 6-prop-1-en-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-prop-1-en-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID657570
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC Name6-prop-1-en-2-yl-1,3,5-triazine-2,4-diamine
SMILESC=C(C)c1nc(N)nc(N)n1
InChIInChI=1S/C6H9N5/c1-3(2)4-9-5(7)11-6(8)10-4/h1H2,2H3,(H4,7,8,9,10,11)
InChIKeyHEFKYCRVGSQGCR-UHFFFAOYSA-N
XLogP0.07
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-prop-1-en-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-prop-1-en-2-yl-1,3,5-triazine-2,4-diamine (CID 657570) is 6-prop-1-en-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-prop-1-en-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-prop-1-en-2-yl-1,3,5-triazine-2,4-diamine is C=C(C)c1nc(N)nc(N)n1.
What is the InChIKey of 6-prop-1-en-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is HEFKYCRVGSQGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-3(2)4-9-5(7)11-6(8)10-4/h1H2,2H3,(H4,7,8,9,10,11).
What are the key properties of 6-prop-1-en-2-yl-1,3,5-triazine-2,4-diamine?
6-prop-1-en-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 151.17 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-1-en-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 657570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).