3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine

C13H19N7 — CID 11716019

IUPAC3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine
SMILESCN1CCCN(c2nc(-c3ccn[nH]3)cnc2N)CC1
InChIInChI=1S/C13H19N7/c1-19-5-2-6-20(8-7-19)13-12(14)15-9-11(17-13)10-3-4-16-18-10/h3-4,9H,2,5-8H2,1H3,(H2,14,15)(H,16,18)
InChIKeyAHHGBHXZBKHKCK-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.59
Rot. Bonds2

About 3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine

3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine (PubChem CID 11716019) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine
PubChem CID11716019
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine
SMILESCN1CCCN(c2nc(-c3ccn[nH]3)cnc2N)CC1
InChIInChI=1S/C13H19N7/c1-19-5-2-6-20(8-7-19)13-12(14)15-9-11(17-13)10-3-4-16-18-10/h3-4,9H,2,5-8H2,1H3,(H2,14,15)(H,16,18)
InChIKeyAHHGBHXZBKHKCK-UHFFFAOYSA-N
XLogP0.59
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine
CID 11694866
3-(4-methylpiperazin-1-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
CID 126474348
2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
CID 28744763
4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 16627028
1-methyl-4-pyridin-2-yl-1,4-diazepane
CID 11790022
1-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)-4-methyl-1,4-diazepane
CID 87371172
5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
CID 62477029
1-methyl-4-pyrimidin-2-yl-1,4-diazepane;dihydrochloride
CID 122160375
8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine
CID 80765580
1-(2,5-dichloropyrimidin-4-yl)-4-methyl-1,4-diazepane
CID 79632687
N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-(2-methyl-1,3-dihydropyrazolo[3,4-b]pyridin-4-yl)pyrazin-2-amine
CID 143255282
6-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylpropyl)pyrimidine-2,4-diamine
CID 66741126

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine?
The IUPAC name of 3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine (CID 11716019) is 3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine?
The canonical SMILES for 3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine is CN1CCCN(c2nc(-c3ccn[nH]3)cnc2N)CC1.
What is the InChIKey of 3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine?
The InChIKey is AHHGBHXZBKHKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c1-19-5-2-6-20(8-7-19)13-12(14)15-9-11(17-13)10-3-4-16-18-10/h3-4,9H,2,5-8H2,1H3,(H2,14,15)(H,16,18).
What are the key properties of 3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine?
3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine is sourced from PubChem (CID 11716019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).