N-[1-(3-fluoropropyl)pyrazol-4-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine

C17H17FN6 — CID 118262780

IUPACN-[1-(3-fluoropropyl)pyrazol-4-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
SMILESCn1c2ccncc2c2ccc(Nc3cnn(CCCF)c3)nc21
InChIInChI=1S/C17H17FN6/c1-23-15-5-7-19-10-14(15)13-3-4-16(22-17(13)23)21-12-9-20-24(11-12)8-2-6-18/h3-5,7,9-11H,2,6,8H2,1H3,(H,21,22)
InChIKeyYXAMBGQFTPSKAA-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.42
Rot. Bonds5

About N-[1-(3-fluoropropyl)pyrazol-4-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine

N-[1-(3-fluoropropyl)pyrazol-4-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine (PubChem CID 118262780) has the molecular formula C17H17FN6 and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[1-(3-fluoropropyl)pyrazol-4-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine.

Molecular Properties

Compound NameN-[1-(3-fluoropropyl)pyrazol-4-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
PubChem CID118262780
Molecular FormulaC17H17FN6
Molecular Weight324.36 g/mol
Exact Mass324.15
IUPAC NameN-[1-(3-fluoropropyl)pyrazol-4-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
SMILESCn1c2ccncc2c2ccc(Nc3cnn(CCCF)c3)nc21
InChIInChI=1S/C17H17FN6/c1-23-15-5-7-19-10-14(15)13-3-4-16(22-17(13)23)21-12-9-20-24(11-12)8-2-6-18/h3-5,7,9-11H,2,6,8H2,1H3,(H,21,22)
InChIKeyYXAMBGQFTPSKAA-UHFFFAOYSA-N
XLogP3.42
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(3-fluoropropyl)pyrazol-4-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoropropyl)pyrazol-4-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The IUPAC name of N-[1-(3-fluoropropyl)pyrazol-4-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine (CID 118262780) is N-[1-(3-fluoropropyl)pyrazol-4-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine.
What is the SMILES notation for N-[1-(3-fluoropropyl)pyrazol-4-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The canonical SMILES for N-[1-(3-fluoropropyl)pyrazol-4-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine is Cn1c2ccncc2c2ccc(Nc3cnn(CCCF)c3)nc21.
What is the InChIKey of N-[1-(3-fluoropropyl)pyrazol-4-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The InChIKey is YXAMBGQFTPSKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6/c1-23-15-5-7-19-10-14(15)13-3-4-16(22-17(13)23)21-12-9-20-24(11-12)8-2-6-18/h3-5,7,9-11H,2,6,8H2,1H3,(H,21,22).
What are the key properties of N-[1-(3-fluoropropyl)pyrazol-4-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
N-[1-(3-fluoropropyl)pyrazol-4-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine has a molecular weight of 324.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoropropyl)pyrazol-4-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine is sourced from PubChem (CID 118262780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).