5-(3-cyclopropyl-4-fluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C17H22FN5 — CID 169377676

IUPAC5-(3-cyclopropyl-4-fluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(c2ccc(F)c(C3CC3)c2)C(N)=N1
InChIInChI=1S/C17H22FN5/c18-14-7-6-12(10-13(14)11-4-5-11)23-16(20)21-15(19)22-17(23)8-2-1-3-9-17/h6-7,10-11H,1-5,8-9H2,(H4,19,20,21,22)
InChIKeyFTDBSWNFCNNOHV-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.81
Rot. Bonds2

About 5-(3-cyclopropyl-4-fluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-(3-cyclopropyl-4-fluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169377676) has the molecular formula C17H22FN5 and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-(3-cyclopropyl-4-fluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name5-(3-cyclopropyl-4-fluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
PubChem CID169377676
Molecular FormulaC17H22FN5
Molecular Weight315.40 g/mol
Exact Mass315.19
IUPAC Name5-(3-cyclopropyl-4-fluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(c2ccc(F)c(C3CC3)c2)C(N)=N1
InChIInChI=1S/C17H22FN5/c18-14-7-6-12(10-13(14)11-4-5-11)23-16(20)21-15(19)22-17(23)8-2-1-3-9-17/h6-7,10-11H,1-5,8-9H2,(H4,19,20,21,22)
InChIKeyFTDBSWNFCNNOHV-UHFFFAOYSA-N
XLogP2.81
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-fluorobenzoic acid
CID 169373660
5-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373872
6-bromo-2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-3-fluorophenol
CID 169378109
4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-3-fluorophenol
CID 169373675
5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-methylphenol
CID 169378253
5-[4-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374159
5-(4-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine chloride
CID 21177168
5-(2,6-difluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373513
5-[4-bromo-3-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373580
5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride
CID 2843847
5-[4-(4-methylphenyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375974
5-(2,6-difluoro-4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375379

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyl-4-fluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The IUPAC name of 5-(3-cyclopropyl-4-fluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169377676) is 5-(3-cyclopropyl-4-fluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.
What is the SMILES notation for 5-(3-cyclopropyl-4-fluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The canonical SMILES for 5-(3-cyclopropyl-4-fluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is NC1=NC2(CCCCC2)N(c2ccc(F)c(C3CC3)c2)C(N)=N1.
What is the InChIKey of 5-(3-cyclopropyl-4-fluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The InChIKey is FTDBSWNFCNNOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5/c18-14-7-6-12(10-13(14)11-4-5-11)23-16(20)21-15(19)22-17(23)8-2-1-3-9-17/h6-7,10-11H,1-5,8-9H2,(H4,19,20,21,22).
What are the key properties of 5-(3-cyclopropyl-4-fluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
5-(3-cyclopropyl-4-fluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 315.40 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-4-fluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169377676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).