(3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine

C14H24N8 — CID 95309829

IUPAC(3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESCCCCn1nnnc1CN1CCC[C@@H](Cn2cncn2)C1
InChIInChI=1S/C14H24N8/c1-2-3-7-22-14(17-18-19-22)10-20-6-4-5-13(8-20)9-21-12-15-11-16-21/h11-13H,2-10H2,1H3/t13-/m1/s1
InChIKeyYAUROEOTWHRLNF-CYBMUJFWSA-N
MW304.40 g/mol
LogP0.98
Rot. Bonds7

About (3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine

(3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine (PubChem CID 95309829) has the molecular formula C14H24N8 and a molecular weight of 304.40 g/mol. Its IUPAC name is (3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name(3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine
PubChem CID95309829
Molecular FormulaC14H24N8
Molecular Weight304.40 g/mol
Exact Mass304.21
IUPAC Name(3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESCCCCn1nnnc1CN1CCC[C@@H](Cn2cncn2)C1
InChIInChI=1S/C14H24N8/c1-2-3-7-22-14(17-18-19-22)10-20-6-4-5-13(8-20)9-21-12-15-11-16-21/h11-13H,2-10H2,1H3/t13-/m1/s1
InChIKeyYAUROEOTWHRLNF-CYBMUJFWSA-N
XLogP0.98
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3S)-1-[(1-phenyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine
CID 95309762
3-butyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95313170
(3R)-3-(methoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine
CID 96538871
2-butyl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95331583
2-methyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95325530
1,3-dimethyl-6-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 95609098
3,5-dimethyl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 95311320
5-methyl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95313243
1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 95585835
(2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95289927
1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidin-4-amine
CID 79867375
2-methyl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95312010

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine?
The IUPAC name of (3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine (CID 95309829) is (3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine.
What is the SMILES notation for (3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine?
The canonical SMILES for (3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine is CCCCn1nnnc1CN1CCC[C@@H](Cn2cncn2)C1.
What is the InChIKey of (3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine?
The InChIKey is YAUROEOTWHRLNF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24N8/c1-2-3-7-22-14(17-18-19-22)10-20-6-4-5-13(8-20)9-21-12-15-11-16-21/h11-13H,2-10H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine?
(3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine has a molecular weight of 304.40 g/mol, XLogP of 0.98, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 95309829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).