[1-[1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanamine

C15H23N7S — CID 30897109

IUPAC[1-[1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanamine
SMILESCCSc1ncc(CN2CCC(n3cc(CN)nn3)CC2)cn1
InChIInChI=1S/C15H23N7S/c1-2-23-15-17-8-12(9-18-15)10-21-5-3-14(4-6-21)22-11-13(7-16)19-20-22/h8-9,11,14H,2-7,10,16H2,1H3
InChIKeyZFHRZEQKLJBHBJ-UHFFFAOYSA-N
MW333.47 g/mol
LogP1.48
Rot. Bonds6

About [1-[1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanamine

[1-[1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanamine (PubChem CID 30897109) has the molecular formula C15H23N7S and a molecular weight of 333.47 g/mol. Its IUPAC name is [1-[1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanamine
PubChem CID30897109
Molecular FormulaC15H23N7S
Molecular Weight333.47 g/mol
Exact Mass333.17
IUPAC Name[1-[1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanamine
SMILESCCSc1ncc(CN2CCC(n3cc(CN)nn3)CC2)cn1
InChIInChI=1S/C15H23N7S/c1-2-23-15-17-8-12(9-18-15)10-21-5-3-14(4-6-21)22-11-13(7-16)19-20-22/h8-9,11,14H,2-7,10,16H2,1H3
InChIKeyZFHRZEQKLJBHBJ-UHFFFAOYSA-N
XLogP1.48
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}-1-pyrimidin-2-ylpiperidin-4-amine
CID 72922955
[1-[1-[(2-Ethylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanamine;bis(2,2,2-trifluoroacetic acid)
CID 154885233
7-{[2-(Propylthio)pyrimidin-5-yl]methyl}-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 56897964
2-N-[[1-(3-methylsulfanylpropyl)triazol-4-yl]methyl]-6-piperazin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 167455300
6-(4-methylpiperazin-1-yl)-2-N-[[1-(3-methylsulfanylpropyl)triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 176597339
5-{[4-(4-tert-butyl-1H-1,2,3-triazol-1-yl)-1-piperidinyl]methyl}-2-(methylthio)pyrimidine
CID 28730321
1-({1-[1-(2,5-dimethyl-4-pyrimidinyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methyl)-1,4-diazepane bis(trifluoroacetate)
CID 30921156
5-methyl-2-[(3R)-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine
CID 39818362
5-methyl-2-[(3S)-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine
CID 39818364
5-methyl-2-(3-{[4-(4-thiomorpholinylmethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-piperidinyl)-4-pyrimidinamine bis(trifluoroacetate)
CID 45230793
1-(1-isobutyl-1H-imidazol-5-yl)-N-{[2-(propylthio)pyrimidin-5-yl]methyl}methanamine
CID 46988282
1-[2-(5-Methylpyrimidin-2-yl)sulfanylethyl]pyrazol-4-amine
CID 62138468

Frequently Asked Questions

What is the IUPAC name of [1-[1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanamine?
The IUPAC name of [1-[1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanamine (CID 30897109) is [1-[1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanamine is CCSc1ncc(CN2CCC(n3cc(CN)nn3)CC2)cn1.
What is the InChIKey of [1-[1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanamine?
The InChIKey is ZFHRZEQKLJBHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7S/c1-2-23-15-17-8-12(9-18-15)10-21-5-3-14(4-6-21)22-11-13(7-16)19-20-22/h8-9,11,14H,2-7,10,16H2,1H3.
What are the key properties of [1-[1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanamine?
[1-[1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanamine has a molecular weight of 333.47 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanamine is sourced from PubChem (CID 30897109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).