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

C6H9N5 — CID 10986425

IUPAC2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1ncnc(N)n1
InChIInChI=1S/C6H9N5/c1-2-3-8-6-10-4-9-5(7)11-6/h2,4H,1,3H2,(H3,7,8,9,10,11)
InChIKeyNHTUOTYSAKWUOO-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.05
Rot. Bonds3

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

2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 10986425) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is 2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID10986425
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC Name2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1ncnc(N)n1
InChIInChI=1S/C6H9N5/c1-2-3-8-6-10-4-9-5(7)11-6/h2,4H,1,3H2,(H3,7,8,9,10,11)
InChIKeyNHTUOTYSAKWUOO-UHFFFAOYSA-N
XLogP0.05
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Diallyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 27306
N-Allyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 35294
1,3,5-Triazine-2,4,6-triamine, N,N'-di-2-propenyl-
CID 35075
2,4,6-Triallylamino-sym-triazine
CID 35080
Allyl(1,3,5-triazin-2-yl)cyanamide
CID 88848466
2-Allylamino-4-amino-6-methoxy-s-triazine
CID 459154
4,6-difluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 70598290
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
[4,6-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

Frequently Asked Questions

What is the IUPAC name of 2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 10986425) is 2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1ncnc(N)n1.
What is the InChIKey of 2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is NHTUOTYSAKWUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-2-3-8-6-10-4-9-5(7)11-6/h2,4H,1,3H2,(H3,7,8,9,10,11).
What are the key properties of 2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 151.17 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10986425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).