1-[1-(3-fluoropropyl)triazol-4-yl]-N-methylmethanamine

C7H13FN4 — CID 81111092

IUPAC1-[1-(3-fluoropropyl)triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCCF)nn1
InChIInChI=1S/C7H13FN4/c1-9-5-7-6-12(11-10-7)4-2-3-8/h6,9H,2-5H2,1H3
InChIKeyNFBAKCXGCJNCTK-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.36
Rot. Bonds5

About 1-[1-(3-fluoropropyl)triazol-4-yl]-N-methylmethanamine

1-[1-(3-fluoropropyl)triazol-4-yl]-N-methylmethanamine (PubChem CID 81111092) has the molecular formula C7H13FN4 and a molecular weight of 172.21 g/mol. Its IUPAC name is 1-[1-(3-fluoropropyl)triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-fluoropropyl)triazol-4-yl]-N-methylmethanamine
PubChem CID81111092
Molecular FormulaC7H13FN4
Molecular Weight172.21 g/mol
Exact Mass172.11
IUPAC Name1-[1-(3-fluoropropyl)triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCCF)nn1
InChIInChI=1S/C7H13FN4/c1-9-5-7-6-12(11-10-7)4-2-3-8/h6,9H,2-5H2,1H3
InChIKeyNFBAKCXGCJNCTK-UHFFFAOYSA-N
XLogP0.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoropropyl)triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-fluoropropyl)triazol-4-yl]-N-methylmethanamine (CID 81111092) is 1-[1-(3-fluoropropyl)triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-fluoropropyl)triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-fluoropropyl)triazol-4-yl]-N-methylmethanamine is CNCc1cn(CCCF)nn1.
What is the InChIKey of 1-[1-(3-fluoropropyl)triazol-4-yl]-N-methylmethanamine?
The InChIKey is NFBAKCXGCJNCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN4/c1-9-5-7-6-12(11-10-7)4-2-3-8/h6,9H,2-5H2,1H3.
What are the key properties of 1-[1-(3-fluoropropyl)triazol-4-yl]-N-methylmethanamine?
1-[1-(3-fluoropropyl)triazol-4-yl]-N-methylmethanamine has a molecular weight of 172.21 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoropropyl)triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 81111092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).