N-(2,2-difluorocyclopentyl)-3-methyltriazol-4-amine

C8H12F2N4 — CID 131198083

IUPACN-(2,2-difluorocyclopentyl)-3-methyltriazol-4-amine
SMILESCn1nncc1NC1CCCC1(F)F
InChIInChI=1S/C8H12F2N4/c1-14-7(5-11-13-14)12-6-3-2-4-8(6,9)10/h5-6,12H,2-4H2,1H3
InChIKeyKJPIGQAXDKEXQN-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.41
Rot. Bonds2

About N-(2,2-difluorocyclopentyl)-3-methyltriazol-4-amine

N-(2,2-difluorocyclopentyl)-3-methyltriazol-4-amine (PubChem CID 131198083) has the molecular formula C8H12F2N4 and a molecular weight of 202.21 g/mol. Its IUPAC name is N-(2,2-difluorocyclopentyl)-3-methyltriazol-4-amine.

Molecular Properties

Compound NameN-(2,2-difluorocyclopentyl)-3-methyltriazol-4-amine
PubChem CID131198083
Molecular FormulaC8H12F2N4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC NameN-(2,2-difluorocyclopentyl)-3-methyltriazol-4-amine
SMILESCn1nncc1NC1CCCC1(F)F
InChIInChI=1S/C8H12F2N4/c1-14-7(5-11-13-14)12-6-3-2-4-8(6,9)10/h5-6,12H,2-4H2,1H3
InChIKeyKJPIGQAXDKEXQN-UHFFFAOYSA-N
XLogP1.41
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorocyclopentyl)-3-methyltriazol-4-amine?
The IUPAC name of N-(2,2-difluorocyclopentyl)-3-methyltriazol-4-amine (CID 131198083) is N-(2,2-difluorocyclopentyl)-3-methyltriazol-4-amine.
What is the SMILES notation for N-(2,2-difluorocyclopentyl)-3-methyltriazol-4-amine?
The canonical SMILES for N-(2,2-difluorocyclopentyl)-3-methyltriazol-4-amine is Cn1nncc1NC1CCCC1(F)F.
What is the InChIKey of N-(2,2-difluorocyclopentyl)-3-methyltriazol-4-amine?
The InChIKey is KJPIGQAXDKEXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4/c1-14-7(5-11-13-14)12-6-3-2-4-8(6,9)10/h5-6,12H,2-4H2,1H3.
What are the key properties of N-(2,2-difluorocyclopentyl)-3-methyltriazol-4-amine?
N-(2,2-difluorocyclopentyl)-3-methyltriazol-4-amine has a molecular weight of 202.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorocyclopentyl)-3-methyltriazol-4-amine is sourced from PubChem (CID 131198083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).