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

C9H13N5 — CID 54418415

IUPAC2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1ncnc(NCC=C)n1
InChIInChI=1S/C9H13N5/c1-3-5-10-8-12-7-13-9(14-8)11-6-4-2/h3-4,7H,1-2,5-6H2,(H2,10,11,12,13,14)
InChIKeyHBAOFZVNLOAENU-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.07
Rot. Bonds6

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

2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 54418415) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID54418415
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1ncnc(NCC=C)n1
InChIInChI=1S/C9H13N5/c1-3-5-10-8-12-7-13-9(14-8)11-6-4-2/h3-4,7H,1-2,5-6H2,(H2,10,11,12,13,14)
InChIKeyHBAOFZVNLOAENU-UHFFFAOYSA-N
XLogP1.07
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N,N'-Diallyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 27306
Cambridge id 5304492
CID 2056339
1,3,5-Triazine-2,4,6-triamine, N,N'-di-2-propenyl-
CID 35075
2,4,6-Triallylamino-sym-triazine
CID 35080
2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 10986425
4-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 173427726
N-(buta-1,3-dien-2-yl)-1,3,5-triazin-2-amine
CID 162368556
n2-(But-2-en-2-yl)-n4-((e)-prop-1-enyl)-1,3,5-triazine-2,4-diamine
CID 163320491
4-N,4-N-dimethyl-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 298159
[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]prop-2-en-1-ylcyanamide
CID 778504
6-chloro-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 34927
N~2~-allyl-6-chloro-N~4~-isopropyl-1,3,5-triazine-2,4-diamine
CID 2053556

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 54418415) is 2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCNc1ncnc(NCC=C)n1.
What is the InChIKey of 2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HBAOFZVNLOAENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-3-5-10-8-12-7-13-9(14-8)11-6-4-2/h3-4,7H,1-2,5-6H2,(H2,10,11,12,13,14).
What are the key properties of 2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 191.24 g/mol, XLogP of 1.07, 6 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-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 54418415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).