1-(cyclopropylmethyl)-4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine

C17H25N7 — CID 72918437

IUPAC1-(cyclopropylmethyl)-4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
SMILESc1ncn(Cc2nnc(C3CCN(CC4CC4)CC3)n2C2CC2)n1
InChIInChI=1S/C17H25N7/c1-2-13(1)9-22-7-5-14(6-8-22)17-21-20-16(24(17)15-3-4-15)10-23-12-18-11-19-23/h11-15H,1-10H2
InChIKeyNWDVQKMFFDZFGI-UHFFFAOYSA-N
MW327.44 g/mol
LogP1.84
Rot. Bonds6

About 1-(cyclopropylmethyl)-4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine

1-(cyclopropylmethyl)-4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 72918437) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
PubChem CID72918437
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name1-(cyclopropylmethyl)-4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
SMILESc1ncn(Cc2nnc(C3CCN(CC4CC4)CC3)n2C2CC2)n1
InChIInChI=1S/C17H25N7/c1-2-13(1)9-22-7-5-14(6-8-22)17-21-20-16(24(17)15-3-4-15)10-23-12-18-11-19-23/h11-15H,1-10H2
InChIKeyNWDVQKMFFDZFGI-UHFFFAOYSA-N
XLogP1.84
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 1-(cyclopropylmethyl)-4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine (CID 72918437) is 1-(cyclopropylmethyl)-4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine is c1ncn(Cc2nnc(C3CCN(CC4CC4)CC3)n2C2CC2)n1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is NWDVQKMFFDZFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-2-13(1)9-22-7-5-14(6-8-22)17-21-20-16(24(17)15-3-4-15)10-23-12-18-11-19-23/h11-15H,1-10H2.
What are the key properties of 1-(cyclopropylmethyl)-4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
1-(cyclopropylmethyl)-4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 327.44 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[4-cyclopropyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 72918437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).