1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine

C14H25N5 — CID 102800196

IUPAC1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2n[nH]c(C(C)C3CC3)n2)CC1
InChIInChI=1S/C14H25N5/c1-10(12-3-4-12)13-16-14(18-17-13)19-7-5-11(6-8-19)9-15-2/h10-12,15H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyINPXMGRSMHORGQ-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.75
Rot. Bonds5

About 1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine

1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine (PubChem CID 102800196) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
PubChem CID102800196
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2n[nH]c(C(C)C3CC3)n2)CC1
InChIInChI=1S/C14H25N5/c1-10(12-3-4-12)13-16-14(18-17-13)19-7-5-11(6-8-19)9-15-2/h10-12,15H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyINPXMGRSMHORGQ-UHFFFAOYSA-N
XLogP1.75
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine (CID 102800196) is 1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(c2n[nH]c(C(C)C3CC3)n2)CC1.
What is the InChIKey of 1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine?
The InChIKey is INPXMGRSMHORGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-10(12-3-4-12)13-16-14(18-17-13)19-7-5-11(6-8-19)9-15-2/h10-12,15H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine?
1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine has a molecular weight of 263.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 102800196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).