(4-chloro-1,3,5-triazin-2-yl)-prop-2-enylcyanamide

C7H6ClN5 — CID 88836842

IUPAC(4-chloro-1,3,5-triazin-2-yl)-prop-2-enylcyanamide
SMILESC=CCN(C#N)c1ncnc(Cl)n1
InChIInChI=1S/C7H6ClN5/c1-2-3-13(4-9)7-11-5-10-6(8)12-7/h2,5H,1,3H2
InChIKeySNFZLNPLYPKALU-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.00
Rot. Bonds3

About (4-chloro-1,3,5-triazin-2-yl)-prop-2-enylcyanamide

(4-chloro-1,3,5-triazin-2-yl)-prop-2-enylcyanamide (PubChem CID 88836842) has the molecular formula C7H6ClN5 and a molecular weight of 195.61 g/mol. Its IUPAC name is (4-chloro-1,3,5-triazin-2-yl)-prop-2-enylcyanamide.

Molecular Properties

Compound Name(4-chloro-1,3,5-triazin-2-yl)-prop-2-enylcyanamide
PubChem CID88836842
Molecular FormulaC7H6ClN5
Molecular Weight195.61 g/mol
Exact Mass195.03
IUPAC Name(4-chloro-1,3,5-triazin-2-yl)-prop-2-enylcyanamide
SMILESC=CCN(C#N)c1ncnc(Cl)n1
InChIInChI=1S/C7H6ClN5/c1-2-3-13(4-9)7-11-5-10-6(8)12-7/h2,5H,1,3H2
InChIKeySNFZLNPLYPKALU-UHFFFAOYSA-N
XLogP1.00
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Allyl(1,3,5-triazin-2-yl)cyanamide
CID 88848466
4-N,4-N-dimethyl-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 298159
4-chloro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
CID 19739695
4-chloro-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 20399199
N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
CID 22987609
N-prop-2-enyl-N-(1,3,5-triazin-2-yl)thiohydroxylamine
CID 88833490
2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 141366898
2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 173438737
4-[(4-Chloro-1,3,5-triazin-2-yl)amino]but-2-enenitrile
CID 173460115
2-[(4,6-Dichloro-1,3,5-triazin-2-yl)-prop-2-enylamino]acetonitrile
CID 110192281

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1,3,5-triazin-2-yl)-prop-2-enylcyanamide?
The IUPAC name of (4-chloro-1,3,5-triazin-2-yl)-prop-2-enylcyanamide (CID 88836842) is (4-chloro-1,3,5-triazin-2-yl)-prop-2-enylcyanamide.
What is the SMILES notation for (4-chloro-1,3,5-triazin-2-yl)-prop-2-enylcyanamide?
The canonical SMILES for (4-chloro-1,3,5-triazin-2-yl)-prop-2-enylcyanamide is C=CCN(C#N)c1ncnc(Cl)n1.
What is the InChIKey of (4-chloro-1,3,5-triazin-2-yl)-prop-2-enylcyanamide?
The InChIKey is SNFZLNPLYPKALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5/c1-2-3-13(4-9)7-11-5-10-6(8)12-7/h2,5H,1,3H2.
What are the key properties of (4-chloro-1,3,5-triazin-2-yl)-prop-2-enylcyanamide?
(4-chloro-1,3,5-triazin-2-yl)-prop-2-enylcyanamide has a molecular weight of 195.61 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,3,5-triazin-2-yl)-prop-2-enylcyanamide is sourced from PubChem (CID 88836842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).