N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine

C10H16N6 — CID 106282301

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCc1nn(C)cc1CNC(C)c1ncn[nH]1
InChIInChI=1S/C10H16N6/c1-7-9(5-16(3)15-7)4-11-8(2)10-12-6-13-14-10/h5-6,8,11H,4H2,1-3H3,(H,12,13,14)
InChIKeyGBPBWXWNDAKXTJ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.70
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 106282301) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID106282301
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCc1nn(C)cc1CNC(C)c1ncn[nH]1
InChIInChI=1S/C10H16N6/c1-7-9(5-16(3)15-7)4-11-8(2)10-12-6-13-14-10/h5-6,8,11H,4H2,1-3H3,(H,12,13,14)
InChIKeyGBPBWXWNDAKXTJ-UHFFFAOYSA-N
XLogP0.70
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106281876
1-(1H-1,2,4-triazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 106281612
1-(1,3-dimethylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 65196877
(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 83088818
4-[1-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]phenol
CID 112668646
(1S)-1-(4-bromophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 83088989
N-[(4-methylphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103952879
N-[(2-bromophenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103886572
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106282202
(1R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 83089241
1-(1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 63379064
(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 83089484

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 106282301) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine is Cc1nn(C)cc1CNC(C)c1ncn[nH]1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is GBPBWXWNDAKXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-7-9(5-16(3)15-7)4-11-8(2)10-12-6-13-14-10/h5-6,8,11H,4H2,1-3H3,(H,12,13,14).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 220.28 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 106282301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).