2-N,4-N-bis(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamine

C9H13N5 — CID 173309438

IUPAC2-N,4-N-bis(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamine
SMILESC=C(C)Nc1ncnc(NC(=C)C)n1
InChIInChI=1S/C9H13N5/c1-6(2)12-8-10-5-11-9(14-8)13-7(3)4/h5H,1,3H2,2,4H3,(H2,10,11,12,13,14)
InChIKeyKAXBAFHMUCQOAO-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.76
Rot. Bonds4

About 2-N,4-N-bis(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 173309438) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 2-N,4-N-bis(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID173309438
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name2-N,4-N-bis(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamine
SMILESC=C(C)Nc1ncnc(NC(=C)C)n1
InChIInChI=1S/C9H13N5/c1-6(2)12-8-10-5-11-9(14-8)13-7(3)4/h5H,1,3H2,2,4H3,(H2,10,11,12,13,14)
InChIKeyKAXBAFHMUCQOAO-UHFFFAOYSA-N
XLogP1.76
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamine (CID 173309438) is 2-N,4-N-bis(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamine is C=C(C)Nc1ncnc(NC(=C)C)n1.
What is the InChIKey of 2-N,4-N-bis(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KAXBAFHMUCQOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-6(2)12-8-10-5-11-9(14-8)13-7(3)4/h5H,1,3H2,2,4H3,(H2,10,11,12,13,14).
What are the key properties of 2-N,4-N-bis(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 191.24 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 173309438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).