2-N-but-2-en-2-yl-4-N-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine

C10H15N5 — CID 163320491

IUPAC2-N-but-2-en-2-yl-4-N-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine
SMILESCC=C(C)Nc1ncnc(N/C=C/C)n1
InChIInChI=1S/C10H15N5/c1-4-6-11-9-12-7-13-10(15-9)14-8(3)5-2/h4-7H,1-3H3,(H2,11,12,13,14,15)/b6-4+,8-5?
InChIKeyFUQIFLBOBOWPKE-IHXNKUKYSA-N
MW205.26 g/mol
LogP2.15
Rot. Bonds4

About 2-N-but-2-en-2-yl-4-N-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine

2-N-but-2-en-2-yl-4-N-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine (PubChem CID 163320491) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-N-but-2-en-2-yl-4-N-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-but-2-en-2-yl-4-N-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine
PubChem CID163320491
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name2-N-but-2-en-2-yl-4-N-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine
SMILESCC=C(C)Nc1ncnc(N/C=C/C)n1
InChIInChI=1S/C10H15N5/c1-4-6-11-9-12-7-13-10(15-9)14-8(3)5-2/h4-7H,1-3H3,(H2,11,12,13,14,15)/b6-4+,8-5?
InChIKeyFUQIFLBOBOWPKE-IHXNKUKYSA-N
XLogP2.15
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-but-2-en-2-yl-4-N-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-but-2-en-2-yl-4-N-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine (CID 163320491) is 2-N-but-2-en-2-yl-4-N-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-but-2-en-2-yl-4-N-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-but-2-en-2-yl-4-N-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine is CC=C(C)Nc1ncnc(N/C=C/C)n1.
What is the InChIKey of 2-N-but-2-en-2-yl-4-N-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FUQIFLBOBOWPKE-IHXNKUKYSA-N. The full InChI is InChI=1S/C10H15N5/c1-4-6-11-9-12-7-13-10(15-9)14-8(3)5-2/h4-7H,1-3H3,(H2,11,12,13,14,15)/b6-4+,8-5?.
What are the key properties of 2-N-but-2-en-2-yl-4-N-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine?
2-N-but-2-en-2-yl-4-N-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 205.26 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-but-2-en-2-yl-4-N-[(E)-prop-1-enyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 163320491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).