N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]tetrazolo[1,5-a]pyrazin-5-amine

C13H15N9 — CID 95264994

IUPACN-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]tetrazolo[1,5-a]pyrazin-5-amine
SMILESc1cnc(N2CCC[C@H](Nc3cncc4nnnn34)C2)nc1
InChIInChI=1S/C13H15N9/c1-3-10(9-21(6-1)13-15-4-2-5-16-13)17-11-7-14-8-12-18-19-20-22(11)12/h2,4-5,7-8,10,17H,1,3,6,9H2/t10-/m0/s1
InChIKeyMKCXJBFHTLRFDR-JTQLQIEISA-N
MW297.33 g/mol
LogP0.39
Rot. Bonds3

About N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]tetrazolo[1,5-a]pyrazin-5-amine

N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]tetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 95264994) has the molecular formula C13H15N9 and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]tetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]tetrazolo[1,5-a]pyrazin-5-amine
PubChem CID95264994
Molecular FormulaC13H15N9
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC NameN-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]tetrazolo[1,5-a]pyrazin-5-amine
SMILESc1cnc(N2CCC[C@H](Nc3cncc4nnnn34)C2)nc1
InChIInChI=1S/C13H15N9/c1-3-10(9-21(6-1)13-15-4-2-5-16-13)17-11-7-14-8-12-18-19-20-22(11)12/h2,4-5,7-8,10,17H,1,3,6,9H2/t10-/m0/s1
InChIKeyMKCXJBFHTLRFDR-JTQLQIEISA-N
XLogP0.39
TPSA97.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]tetrazolo[1,5-a]pyrazin-5-amine with MolForge

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Related Compounds

(3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 97226290
N-cyclohexyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 43728828
6-pyrazol-1-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine
CID 94032550
3-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)isoquinolin-1-amine
CID 154878532
N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methyl]ethanamine
CID 62592707
N-(1-pyrimidin-2-ylpiperidin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43728865
1-[4-(5-methyltetrazol-1-yl)phenyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 125161705
N-[1-(1-methylcyclopropyl)ethyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 43728825
N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide
CID 94639342
2-fluoro-6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]amino]benzonitrile
CID 94032537
4-acetyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,4-diazepane-1-carboxamide
CID 94031653
1-cyclobutyl-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide
CID 119153839

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]tetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]tetrazolo[1,5-a]pyrazin-5-amine (CID 95264994) is N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]tetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]tetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]tetrazolo[1,5-a]pyrazin-5-amine is c1cnc(N2CCC[C@H](Nc3cncc4nnnn34)C2)nc1.
What is the InChIKey of N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]tetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is MKCXJBFHTLRFDR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15N9/c1-3-10(9-21(6-1)13-15-4-2-5-16-13)17-11-7-14-8-12-18-19-20-22(11)12/h2,4-5,7-8,10,17H,1,3,6,9H2/t10-/m0/s1.
What are the key properties of N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]tetrazolo[1,5-a]pyrazin-5-amine?
N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]tetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 297.33 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]tetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 95264994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).