N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride

C12H20ClN5O — CID 3073346

IUPACN-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCCc1nc(NC2CC2)nc(N2CCOCC2)n1.Cl
InChIInChI=1S/C12H19N5O.ClH/c1-2-10-14-11(13-9-3-4-9)16-12(15-10)17-5-7-18-8-6-17;/h9H,2-8H2,1H3,(H,13,14,15,16);1H
InChIKeyHHJSUACKRSPMFH-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.27
Rot. Bonds4

About N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride

N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride (PubChem CID 3073346) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
PubChem CID3073346
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC NameN-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCCc1nc(NC2CC2)nc(N2CCOCC2)n1.Cl
InChIInChI=1S/C12H19N5O.ClH/c1-2-10-14-11(13-9-3-4-9)16-12(15-10)17-5-7-18-8-6-17;/h9H,2-8H2,1H3,(H,13,14,15,16);1H
InChIKeyHHJSUACKRSPMFH-UHFFFAOYSA-N
XLogP1.27
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The IUPAC name of N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride (CID 3073346) is N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride.
What is the SMILES notation for N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The canonical SMILES for N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride is CCc1nc(NC2CC2)nc(N2CCOCC2)n1.Cl.
What is the InChIKey of N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The InChIKey is HHJSUACKRSPMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O.ClH/c1-2-10-14-11(13-9-3-4-9)16-12(15-10)17-5-7-18-8-6-17;/h9H,2-8H2,1H3,(H,13,14,15,16);1H.
What are the key properties of N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride has a molecular weight of 285.78 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride is sourced from PubChem (CID 3073346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).