4-chloro-6-(ethylideneamino)-N-propan-2-yl-1,3,5-triazin-2-amine

C8H12ClN5 — CID 101004677

IUPAC4-chloro-6-(ethylideneamino)-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC=Nc1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C8H12ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h4-5H,1-3H3,(H,11,12,13,14)
InChIKeyAXIZDHRWYKKBBM-UHFFFAOYSA-N
MW213.67 g/mol
LogP2.07
Rot. Bonds3

About 4-chloro-6-(ethylideneamino)-N-propan-2-yl-1,3,5-triazin-2-amine

4-chloro-6-(ethylideneamino)-N-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 101004677) has the molecular formula C8H12ClN5 and a molecular weight of 213.67 g/mol. Its IUPAC name is 4-chloro-6-(ethylideneamino)-N-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(ethylideneamino)-N-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID101004677
Molecular FormulaC8H12ClN5
Molecular Weight213.67 g/mol
Exact Mass213.08
IUPAC Name4-chloro-6-(ethylideneamino)-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC=Nc1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C8H12ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h4-5H,1-3H3,(H,11,12,13,14)
InChIKeyAXIZDHRWYKKBBM-UHFFFAOYSA-N
XLogP2.07
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(ethylideneamino)-N-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(ethylideneamino)-N-propan-2-yl-1,3,5-triazin-2-amine (CID 101004677) is 4-chloro-6-(ethylideneamino)-N-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(ethylideneamino)-N-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(ethylideneamino)-N-propan-2-yl-1,3,5-triazin-2-amine is CC=Nc1nc(Cl)nc(NC(C)C)n1.
What is the InChIKey of 4-chloro-6-(ethylideneamino)-N-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is AXIZDHRWYKKBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h4-5H,1-3H3,(H,11,12,13,14).
What are the key properties of 4-chloro-6-(ethylideneamino)-N-propan-2-yl-1,3,5-triazin-2-amine?
4-chloro-6-(ethylideneamino)-N-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 213.67 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(ethylideneamino)-N-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 101004677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).