2-methyl-1-[5-(2-methylcyclopentyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

C14H25N5 — CID 107176897

IUPAC2-methyl-1-[5-(2-methylcyclopentyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCC1CCCC1c1nc(N2CCCC(N)C2C)n[nH]1
InChIInChI=1S/C14H25N5/c1-9-5-3-6-11(9)13-16-14(18-17-13)19-8-4-7-12(15)10(19)2/h9-12H,3-8,15H2,1-2H3,(H,16,17,18)
InChIKeySMEFBFOUMVLUCW-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.02
Rot. Bonds2

About 2-methyl-1-[5-(2-methylcyclopentyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

2-methyl-1-[5-(2-methylcyclopentyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (PubChem CID 107176897) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-methyl-1-[5-(2-methylcyclopentyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name2-methyl-1-[5-(2-methylcyclopentyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
PubChem CID107176897
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-methyl-1-[5-(2-methylcyclopentyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESCC1CCCC1c1nc(N2CCCC(N)C2C)n[nH]1
InChIInChI=1S/C14H25N5/c1-9-5-3-6-11(9)13-16-14(18-17-13)19-8-4-7-12(15)10(19)2/h9-12H,3-8,15H2,1-2H3,(H,16,17,18)
InChIKeySMEFBFOUMVLUCW-UHFFFAOYSA-N
XLogP2.02
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(2-methylcyclopentyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The IUPAC name of 2-methyl-1-[5-(2-methylcyclopentyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (CID 107176897) is 2-methyl-1-[5-(2-methylcyclopentyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 2-methyl-1-[5-(2-methylcyclopentyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The canonical SMILES for 2-methyl-1-[5-(2-methylcyclopentyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is CC1CCCC1c1nc(N2CCCC(N)C2C)n[nH]1.
What is the InChIKey of 2-methyl-1-[5-(2-methylcyclopentyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The InChIKey is SMEFBFOUMVLUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-9-5-3-6-11(9)13-16-14(18-17-13)19-8-4-7-12(15)10(19)2/h9-12H,3-8,15H2,1-2H3,(H,16,17,18).
What are the key properties of 2-methyl-1-[5-(2-methylcyclopentyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
2-methyl-1-[5-(2-methylcyclopentyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine has a molecular weight of 263.39 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(2-methylcyclopentyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 107176897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).