1,3-dimethyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine

C13H25N5 — CID 114503443

IUPAC1,3-dimethyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
SMILESCC1CN(C)CCC1NCc1ncnn1C(C)C
InChIInChI=1S/C13H25N5/c1-10(2)18-13(15-9-16-18)7-14-12-5-6-17(4)8-11(12)3/h9-12,14H,5-8H2,1-4H3
InChIKeyMHSWVTYSEFYPTO-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.29
Rot. Bonds4

About 1,3-dimethyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine

1,3-dimethyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine (PubChem CID 114503443) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
PubChem CID114503443
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name1,3-dimethyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
SMILESCC1CN(C)CCC1NCc1ncnn1C(C)C
InChIInChI=1S/C13H25N5/c1-10(2)18-13(15-9-16-18)7-14-12-5-6-17(4)8-11(12)3/h9-12,14H,5-8H2,1-4H3
InChIKeyMHSWVTYSEFYPTO-UHFFFAOYSA-N
XLogP1.29
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine (CID 114503443) is 1,3-dimethyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine is CC1CN(C)CCC1NCc1ncnn1C(C)C.
What is the InChIKey of 1,3-dimethyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
The InChIKey is MHSWVTYSEFYPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-10(2)18-13(15-9-16-18)7-14-12-5-6-17(4)8-11(12)3/h9-12,14H,5-8H2,1-4H3.
What are the key properties of 1,3-dimethyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
1,3-dimethyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine has a molecular weight of 251.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 114503443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).