1-[(1-methyltetrazol-5-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine

C13H22N8 — CID 128994916

IUPAC1-[(1-methyltetrazol-5-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine
SMILESCC(C)c1n[nH]c(C2CCCCN2Cc2nnnn2C)n1
InChIInChI=1S/C13H22N8/c1-9(2)12-14-13(17-16-12)10-6-4-5-7-21(10)8-11-15-18-19-20(11)3/h9-10H,4-8H2,1-3H3,(H,14,16,17)
InChIKeyAMADDGCMFFDNKZ-UHFFFAOYSA-N
MW290.38 g/mol
LogP1.18
Rot. Bonds4

About 1-[(1-methyltetrazol-5-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine

1-[(1-methyltetrazol-5-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 128994916) has the molecular formula C13H22N8 and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-[(1-methyltetrazol-5-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(1-methyltetrazol-5-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine
PubChem CID128994916
Molecular FormulaC13H22N8
Molecular Weight290.38 g/mol
Exact Mass290.20
IUPAC Name1-[(1-methyltetrazol-5-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine
SMILESCC(C)c1n[nH]c(C2CCCCN2Cc2nnnn2C)n1
InChIInChI=1S/C13H22N8/c1-9(2)12-14-13(17-16-12)10-6-4-5-7-21(10)8-11-15-18-19-20(11)3/h9-10H,4-8H2,1-3H3,(H,14,16,17)
InChIKeyAMADDGCMFFDNKZ-UHFFFAOYSA-N
XLogP1.18
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-butyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780058
Sdccgsbi-0659127.P001
CID 53192262
(2R*,6S*)-1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpiperidine
CID 50973592
1-ethyl-5-{[2-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl}-1H-1,2,4-triazole
CID 77090173
1-[(2S)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butan-2-yl]-4-methylpiperazine
CID 95132693
(2S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]azetidin-3-yl]-2-methylpiperidine
CID 124755225
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine
CID 124755825
(3S)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 129613238
3-(1H-1,2,4-triazol-5-yl)-1-[4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butan-2-yl]piperidine
CID 136516291
4-methyl-3-propan-2-yl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole
CID 138025128
2-tert-butyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]tetrazole
CID 138025139
1,2,4-Triazol-yl-azabicyclo[3.1.0]hexane
CID 132281386

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyltetrazol-5-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 1-[(1-methyltetrazol-5-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine (CID 128994916) is 1-[(1-methyltetrazol-5-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 1-[(1-methyltetrazol-5-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 1-[(1-methyltetrazol-5-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine is CC(C)c1n[nH]c(C2CCCCN2Cc2nnnn2C)n1.
What is the InChIKey of 1-[(1-methyltetrazol-5-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is AMADDGCMFFDNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N8/c1-9(2)12-14-13(17-16-12)10-6-4-5-7-21(10)8-11-15-18-19-20(11)3/h9-10H,4-8H2,1-3H3,(H,14,16,17).
What are the key properties of 1-[(1-methyltetrazol-5-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine?
1-[(1-methyltetrazol-5-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 290.38 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyltetrazol-5-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 128994916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).