4-piperidin-1-yl-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine

C14H18N8 — CID 141214130

IUPAC4-piperidin-1-yl-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine
SMILESC1=C(n2ccnn2)CN(c2cc(N3CCCCC3)ncn2)N1
InChIInChI=1S/C14H18N8/c1-2-5-20(6-3-1)13-8-14(16-11-15-13)22-10-12(9-18-22)21-7-4-17-19-21/h4,7-9,11,18H,1-3,5-6,10H2
InChIKeyXRZXGKKKRKQYAU-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.88
Rot. Bonds3

About 4-piperidin-1-yl-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine

4-piperidin-1-yl-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine (PubChem CID 141214130) has the molecular formula C14H18N8 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-piperidin-1-yl-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine.

Molecular Properties

Compound Name4-piperidin-1-yl-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine
PubChem CID141214130
Molecular FormulaC14H18N8
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name4-piperidin-1-yl-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine
SMILESC1=C(n2ccnn2)CN(c2cc(N3CCCCC3)ncn2)N1
InChIInChI=1S/C14H18N8/c1-2-5-20(6-3-1)13-8-14(16-11-15-13)22-10-12(9-18-22)21-7-4-17-19-21/h4,7-9,11,18H,1-3,5-6,10H2
InChIKeyXRZXGKKKRKQYAU-UHFFFAOYSA-N
XLogP0.88
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine?
The IUPAC name of 4-piperidin-1-yl-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine (CID 141214130) is 4-piperidin-1-yl-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine.
What is the SMILES notation for 4-piperidin-1-yl-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine?
The canonical SMILES for 4-piperidin-1-yl-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine is C1=C(n2ccnn2)CN(c2cc(N3CCCCC3)ncn2)N1.
What is the InChIKey of 4-piperidin-1-yl-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine?
The InChIKey is XRZXGKKKRKQYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8/c1-2-5-20(6-3-1)13-8-14(16-11-15-13)22-10-12(9-18-22)21-7-4-17-19-21/h4,7-9,11,18H,1-3,5-6,10H2.
What are the key properties of 4-piperidin-1-yl-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine?
4-piperidin-1-yl-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine has a molecular weight of 298.35 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-6-[4-(triazol-1-yl)-1,3-dihydropyrazol-2-yl]pyrimidine is sourced from PubChem (CID 141214130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).