N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-5-azaspiro[3.5]nonan-8-amine

C12H18ClN5O — CID 55124640

IUPACN-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-5-azaspiro[3.5]nonan-8-amine
SMILESCOc1nc(Cl)nc(NC2CCNC3(CCC3)C2)n1
InChIInChI=1S/C12H18ClN5O/c1-19-11-17-9(13)16-10(18-11)15-8-3-6-14-12(7-8)4-2-5-12/h8,14H,2-7H2,1H3,(H,15,16,17,18)
InChIKeyNRWZNTIKVHUJNS-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.62
Rot. Bonds3

About N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-5-azaspiro[3.5]nonan-8-amine

N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-5-azaspiro[3.5]nonan-8-amine (PubChem CID 55124640) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-5-azaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-5-azaspiro[3.5]nonan-8-amine
PubChem CID55124640
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC NameN-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-5-azaspiro[3.5]nonan-8-amine
SMILESCOc1nc(Cl)nc(NC2CCNC3(CCC3)C2)n1
InChIInChI=1S/C12H18ClN5O/c1-19-11-17-9(13)16-10(18-11)15-8-3-6-14-12(7-8)4-2-5-12/h8,14H,2-7H2,1H3,(H,15,16,17,18)
InChIKeyNRWZNTIKVHUJNS-UHFFFAOYSA-N
XLogP1.62
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-5-azaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-5-azaspiro[3.5]nonan-8-amine (CID 55124640) is N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-5-azaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-5-azaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-5-azaspiro[3.5]nonan-8-amine is COc1nc(Cl)nc(NC2CCNC3(CCC3)C2)n1.
What is the InChIKey of N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-5-azaspiro[3.5]nonan-8-amine?
The InChIKey is NRWZNTIKVHUJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O/c1-19-11-17-9(13)16-10(18-11)15-8-3-6-14-12(7-8)4-2-5-12/h8,14H,2-7H2,1H3,(H,15,16,17,18).
What are the key properties of N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-5-azaspiro[3.5]nonan-8-amine?
N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-5-azaspiro[3.5]nonan-8-amine has a molecular weight of 283.76 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-5-azaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 55124640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).