N'-methyl-N'-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

C13H17N7 — CID 86296138

IUPACN'-methyl-N'-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1cn[nH]c1-c1ccc2ncnn2c1
InChIInChI=1S/C13H17N7/c1-19(5-4-14)7-11-6-16-18-13(11)10-2-3-12-15-9-17-20(12)8-10/h2-3,6,8-9H,4-5,7,14H2,1H3,(H,16,18)
InChIKeyFAMWUHWAFHWMBP-UHFFFAOYSA-N
MW271.33 g/mol
LogP0.51
Rot. Bonds5

About N'-methyl-N'-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

N'-methyl-N'-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (PubChem CID 86296138) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is N'-methyl-N'-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
PubChem CID86296138
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN'-methyl-N'-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1cn[nH]c1-c1ccc2ncnn2c1
InChIInChI=1S/C13H17N7/c1-19(5-4-14)7-11-6-16-18-13(11)10-2-3-12-15-9-17-20(12)8-10/h2-3,6,8-9H,4-5,7,14H2,1H3,(H,16,18)
InChIKeyFAMWUHWAFHWMBP-UHFFFAOYSA-N
XLogP0.51
TPSA88.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetamide
CID 90433935
N-[[5-(1-ethylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N'-methyl-N'-[[5-(1-methylindol-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;N-methyl-N-[[5-(1-methyl-3H-pyrazol-1-ium-5-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-(1-phenylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine;2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyrazol-1-yl]ethanol;N'-methyl-N'-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 159798378
N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 162144971
3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile
CID 86303224
N'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303534
N'-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303686
N'-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303839
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-ethylsulfonyl-N-methylethanamine
CID 166194678
N'-[[1-[5-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-fluorophenoxy]-3-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 121342362
N'-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303532
N-[[5-(6-methoxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine
CID 118122182
N'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 86301376

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (CID 86296138) is N'-methyl-N'-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is CN(CCN)Cc1cn[nH]c1-c1ccc2ncnn2c1.
What is the InChIKey of N'-methyl-N'-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The InChIKey is FAMWUHWAFHWMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c1-19(5-4-14)7-11-6-16-18-13(11)10-2-3-12-15-9-17-20(12)8-10/h2-3,6,8-9H,4-5,7,14H2,1H3,(H,16,18).
What are the key properties of N'-methyl-N'-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
N'-methyl-N'-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine has a molecular weight of 271.33 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 86296138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).